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J&K Chemical Ltd.

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Address: 5/F, Building-A, TopBox, No.69 Bei Chen West Road, Chaoyang District, Beijing 100029, China
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Profile: JK Chemicals is a manufacturer of chemical compounds. We provide professional synthesis service for research chemicals, building blocks, reactive intermediates and specialty chemicals. Our products include heterocyclic, chiral, organometallic & organophosphorous compound, and fluorochemicals, organosilanes & silicones, amino acid & derivatives, natural product extracts & rare earth elements. We specialize in discovering new compounds & develop production scheme for specialty chemicals, unique chemicals, and pharmaceutical intermediates.

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• 1-Bromo-4-(difluoromethyl)benzene
IUPAC Name: 1-bromo-4-(difluoromethyl)benzene | CAS Registry Number: 51776-71-7
Synonyms: 1-bromo-4-(difluoromethyl)benzene, 1-Bromo-4-difluoromethylbenzene, 1-Bromo-4-difluoromethyl-benzene, PubChem23296, ACMC-1AUKW, AC1MC4DB, SureCN249690, CTK4J4819, MolPort-000-159-793, 4-Bromo-alpha,alpha-difluorotoluene, ANW-31335, WTI-10334, ZINC61717410, 1-bromo-4-(difluoro-methyl)-benzene, AKOS005063348, AG-C-20234, AG-F-75576, RP26283, AK-86947, KB-11749

Molecular Formula: C7H5BrF2Molecular Weight: 207.015406 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HUSPSWKWFREKSS-UHFFFAOYSA-N

• 1-Bromo-2,2-dimethylpropane
IUPAC Name: 1-bromo-2,2-dimethylpropane | CAS Registry Number: 630-17-1
Synonyms: NEOPENTYL BROMIDE, Propane, 1-bromo-2,2-dimethyl-, CCRIS 4895, 249890_ALDRICH, 16940_FLUKA, EINECS 211-132-5, MolPort-001-794-507, CID12415, LS-188185, I14-3405

Molecular Formula: C5H11BrMolecular Weight: 151.044840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: CQWYAXCOVZKLHY-UHFFFAOYSA-N

• 1-(2-Methoxyphenyl)ethanol
IUPAC Name: 2-(2-methoxyphenyl)ethanol | CAS Registry Number: 7417-18-7
Synonyms: Benzeneethanol, 2-methoxy-, 2-Methoxyphenethyl alcohol, Ambap1565, Phenethyl alcohol, o-methoxy-, 2-(2-Methoxyphenyl)ethanol, NCIOpen2_001703, 187925_ALDRICH, NSC101847, CID81909, EINECS 231-029-9, ZINC00406924, InChI=1/C9H12O2/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5,10H,6-7H2,1H

Molecular Formula: C9H12O2Molecular Weight: 152.190380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XLDRDNQLEMMNNH-UHFFFAOYSA-N

• 2-Amino-5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-4(5H)-thiazolone
IUPAC Name: 2-amino-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one | CAS Registry Number: 105355-26-8
Synonyms: Pioglitazone 2-Imine, 5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]-2-imino-4-thiazolidinone, 5-{4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl}-2-imino-4-thiazolidinone, (5-{4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl}-2-imino-4-thiazolidone), 5-{4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl}-2-amino-4-thiazolidinone, 2-Amino-5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl)thiazol-4(5H)-one, 2-Amino-5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl}-thiazol-4-one, 5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl)-2-iminothiazolidin-4-one, 2-amino-5-(4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl)-4(5h)-thiazolone, 2-amino-5-(4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl)-thiazol-4-one, 2-amino-5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]-4(5h)-thiazolone, 2-amino-5-[4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl]-thiazol-4-one, 2-amino-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methyl)-4(5h)-thiazolone, 2-Amino-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4(5H)-thiazolone, AGN-PC-008ORF, Jsp000506, CTK8B7923, CTK8G5036, MolPort-005-934-881, PIOGLITAZONE IMINO IMPURITY

Molecular Formula: C19H21N3O2SMolecular Weight: 355.453940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ABGJULHDDNEULW-UHFFFAOYSA-N

• 3-Chloro-4-fluorobenzyl chloride
IUPAC Name: 2-chloro-4-(chloromethyl)-1-fluorobenzene | CAS Registry Number: 2994-69-6
Synonyms: 2-chloro-4-(chloromethyl)-1-fluorobenzene, SureCN1503218, CTK4G4116, MolPort-001-778-536, ANW-58461, CK1007, PC9555, SBB089500, AKOS015995314, AG-E-97887, AM83195, AS00674, AK-81578, KB-30973, X2644, Benzene,2-chloro-4-(chloromethyl)-1-fluoro-, A22494, Toluene, a,3-dichloro-4-fluoro- (7CI,8CI);3-Chloro-4-fluorobenzyl chloride;

Molecular Formula: C7H5Cl2FMolecular Weight: 179.019003 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HGCXYDVBTPDXNO-UHFFFAOYSA-N

• 4'-Bromo[1,1'-biphenyl]-4-carboxylic acid
IUPAC Name: 4-(4-bromophenyl)benzoate | CAS Registry Number: 5731-11-3
Synonyms: ZINC00168826, CID4580513

Molecular Formula: C13H8BrO2-Molecular Weight: 276.105420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UTHDVFIFIMWTJQ-UHFFFAOYSA-M

• 2-Mercaptobenzolyl-alpha-(2-aminothiazol-4-yl)-alpha-[(tert-butoxycarbonyl)isopropoxyimino]acetate
IUPAC Name: tert-butyl 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxy-2-methylpropanoate | CAS Registry Number: 89604-92-2
Synonyms: (Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate, AGN-PC-00N51Y, CTK8B4540, TERT-BUTYL 2-{[(Z)-[1-(2-AMINO-1,3-THIAZOL-4-YL)-2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-2-OXOETHYLIDENE]AMINO]OXY}-2-METHYLPROPANOATE, ANW-45421, 2-Mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-, A843248, (E)-tert-butyl 2-(1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylideneaminooxy)-2-methylpropanoate, 2-[[1-(2-amino-4-thiazolyl)-2-(1,3-benzothiazol-2-ylthio)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid tert-butyl ester, tert-butyl 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxy-2-methylpropanoate, tert-butyl 2-[[1-(2-azanyl-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoate

Molecular Formula: C20H22N4O4S3Molecular Weight: 478.608080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 11

InChIKey: RCZJVHXVCSKDKB-UHFFFAOYSA-N

• 1A,10B-Dihydro-6H-dibenzo[B,F]oxireno[D]azepine-6-carboxamide
Synonyms: Carbamazepine epoxide, Carbamazepine 10,11-epoxide, 10,11-Epoxycarbamazepine, Carbamazepine-10,11-epoxide, Carbamazepine 10,11-oxide, C4206_SIGMA, CID2555, Carbamazepine-10,11-trans-dihydrodiol, BRN 1219988, GP 49-023, LS-61643, C07496, 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepine-6-carboxamide, 6H-DIBENZ(b,f)OXIREN(d)AZEPINE-6-CARBOXAMIDE, 1a,10b-DIHYDRO-, 1a,10b-Dihydro-6H-dibenzo(b,f)oxireno(d)azepine-6-carboxamide, 6H-Dibenz[b,f]oxireno[d]azepine-6-carboxamide, 1a,10b-dihydro-

Molecular Formula: C15H12N2O2Molecular Weight: 252.267980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZRWWEEVEIOGMMT-UHFFFAOYSA-N

• 2-Hydrazinopyrazine
IUPAC Name: pyrazin-2-ylhydrazine | CAS Registry Number: 54608-52-5
Synonyms: 2-hydrazinylpyrazine, 2-hydrazinopyrazine, Pyrazin-2-yl-hydrazine, 1-(pyrazin-2-yl)hydrazine, PYRAZINE-2-YL-HYDRAZINE, ZINC01402333, pyrazin-2-ylhydrazine, zlchem 1348, AC1LSGXU, HYDRAZINOPYRAZINE, PubChem18786, Pyrazin-2-yl hydrazine, PYRAZINYLHYDRAZINE, PYRAZINE HYDRAZINE, (Pyrazin-2-yl)hydrazine, ACMC-1AST3, SureCN108576, 1??pyrazin-2-yl?hydrazine, 3-HYDRAZINE PYRAZINE, PYRAZINE-2-HYDRAZINE

Molecular Formula: C4H6N4Molecular Weight: 110.117240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: IVRLZJDPKUSDCF-UHFFFAOYSA-N

• 1,2-Diiodo-4-fluorobenzene
IUPAC Name: 4-fluoro-1,2-diiodobenzene | CAS Registry Number: 203059-85-2
Synonyms: 4-fluoro-1,2-diiodobenzene, 3,4-diiodofluorobenzene, AC1MCO5Z, SureCN4136962, 4-Fluoro-1,2-diiodobenzene;, Benzene,4-fluoro-1,2-diiodo-, CTK4E3861, MolPort-000-150-710, PC8196, 4-fluoranyl-1,2-bis(iodanyl)benzene, AKOS016013090, AG-E-48794, AS02136, AK126314, KB-149215, A814426

Molecular Formula: C6H3FI2Molecular Weight: 347.895363 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YWDQZXYXZFFYJQ-UHFFFAOYSA-N

• 3-Methyl-5-Isoxazolylcarboxylic Acid
IUPAC Name: 5-methyl-1,2-oxazole-3-carboxylic acid | CAS Registry Number: 4857-42-5
Synonyms: 5-Methylisoxazole-3-carboxylic acid, 644676_ALDRICH, ALBB-000121, CID76947, 3-Methyl-5-isoxazolecarboxylic acid, 3-Methylisoxazole-5-carboxylic acid, EINECS 222-289-4, EINECS 225-454-9, STK260850, 5-methyl-1,2-oxazole-3-carboxylic acid, TL8007308, T5225437, 3405-77-4

Molecular Formula: C5H5NO3Molecular Weight: 127.098100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BNMPIJWVMVNSRD-UHFFFAOYSA-N

• 5-Bromo-4-chloro-3-indolyl N-acetyl-beta-D-glucosaminide
IUPAC Name: N-[(2S,3R,4R,5S,6R)-2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | CAS Registry Number: 5609-91-6
Synonyms: ZINC04283229, CID2733911

Molecular Formula: C16H18BrClN2O6Molecular Weight: 449.680920 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 6

InChIKey: GJFJDKFSKAEJGX-OXGONZEZSA-N

• 3,3'-Diethyl-9-methylthiacarbocyanine iodide
IUPAC Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole iodide | CAS Registry Number: 3065-79-0
Synonyms: MLS001018610, MLS002637214, NSC96932, EINECS 221-317-2, CHEBI:579383, NSC 96932, CID5351210, CID6364517, LS-40892, SMR000354813, T0500-8750, 3-Ethyl-2-(3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)benzothiazolium iodide, Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-, iodide, Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)-2-methyl-1-propenyl)-, iodide, Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)-2-methylpropenyl]-, iodide, 3-ethyl-2-(3-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)-2-methylprop-1-enyl)benzo[d]thiazol-3-ium iodide, 51895-84-2, Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-, iodide (1:1), Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-, iodide, Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)-2-methyl-1-propenyl]-,iodide

Molecular Formula: C22H23IN2S2Molecular Weight: 506.465890 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SAEMBGFHGROQJZ-UHFFFAOYSA-M

• 9-Vinylanthracene
IUPAC Name: 9-ethenylanthracene | CAS Registry Number: 2444-68-0
Synonyms: 9-VINYLANTHRACENE, Anthracene, 9-ethenyl-, V1708_ALDRICH, Anthracene, 9-ethenyl- (9CI), NSC91571, EINECS 219-486-2, NSC 91571

Molecular Formula: C16H12Molecular Weight: 204.266480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OGOYZCQQQFAGRI-UHFFFAOYSA-N

• 2-diphenylacetylindane-1,3-dione-1-hydrazone
IUPAC Name: (3Z)-2-[2,2-di(phenyl)acetyl]-3-hydrazinylideneinden-1-one | CAS Registry Number: 5102-79-4
Synonyms: Difezon, D204838_ALDRICH, EINECS 225-821-3, NSC 83445, SBB008710, CID5375071, 2-Diphenylacetyl-1,3-indandione-1-hydrazone, 1,3-Indandione, 2-(diphenylacetyl)-, 1-hydrazone (8CI), 2-(Diphenylacetyl)-1H-indene-1,3(2H)-dione 1-hydrazone, 1H-Indene-1,3(2H)-dione, 2-(diphenylacetyl)-, 1-hydrazone (9CI)

Molecular Formula: C23H18N2O2Molecular Weight: 354.401220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QBGMRRUHCFHZLC-NJNXFGOHSA-N

• 2-N-Boc-Amino-3-(4-tetrahydrothiopyranyl)propionic acid
IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(thian-4-yl)propanoate | CAS Registry Number: 494210-67-2
Synonyms: ZINC02583459, ZINC04284231, CID7168103

Molecular Formula: C13H22NO4S-Molecular Weight: 288.383080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UFFZYQPOZQWLBC-JTQLQIEISA-M

• 1,3-Cyclopentanediol
IUPAC Name: cyclopentane-1,3-diol | CAS Registry Number: 59719-74-3
Synonyms: prostaglandins F, Cyclopentane-1,3-diol, 1,3-Cyclopentanediol, cis-, 1,3-Cyclopentanediol, trans-, 192805_ALDRICH, MolPort-001-787-136, EINECS 261-880-1, CID100165, NSC351119, 1,3-Cyclopentanediol, mixture of cis and trans, 16326-97-9

Molecular Formula: C5H10O2Molecular Weight: 102.131700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NUUPJBRGQCEZSI-UHFFFAOYSA-N

• 3-Chloro-4-fluorophenylacetonitrile
IUPAC Name: 2-(3-chloro-4-fluorophenyl)acetonitrile | CAS Registry Number: 658-98-0
Synonyms: 3-chloro-4-fluorobenzyl cyanide, 3-Chloro-4-Fluorophenylacetonitrile, 3-chloro-4-fluorobenzylcyanide, 2-(3-chloro-4-fluorophenyl)acetonitrile, SBB064902, 3-Chloro-4-fluoro benzeneacetonitrile, 2-(3-chloro-4-fluorophenyl)ethanenitrile, ZINC02382241, PubChem18492, AC1MCND4, SureCN37791, AC1Q4L5F, KSC494C6B, CTK3J4160, MolPort-000-153-069, ART-CHEM-BB ACB000349, ANW-51456, AKOS005257754, AG-G-48060, AS01684

Molecular Formula: C8H5ClFNMolecular Weight: 169.583403 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GAUHFGRZXPVMQD-UHFFFAOYSA-N

• (3-Carboxypropyl)Triphenylphosphonium Bromide
IUPAC Name: 3-carboxypropyl(triphenyl)phosphanium;bromide | CAS Registry Number: 17857-14-6
Synonyms: (3-Carboxypropyl)triphenylphosphonium bromide, 3-Carboxypropyltriphenylphosphonium bromide, AG-E-28759, (3-carboxypropyl)triphenylphosphanium bromide, ACMC-1BP1U, 349720_ALDRICH, CTK3J5253, MolPort-001-756-895, ANW-22941, RW2193, AKOS015833005, GC10171, AK-49503, KB-70604, C1635, FT-0604704, FT-0615285, ST50405774, (3-Carboxypropyl)triphenylphosphonium bromide;, CARBOXYPROPYLTRIPHENYLPHOSPHONIUMBROMIDE

Molecular Formula: C22H22BrO2PMolecular Weight: 429.286642 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NKVJKVMGJABKHV-UHFFFAOYSA-N

• 2,3-Dibromonaphthalene
IUPAC Name: 2,3-dibromonaphthalene | CAS Registry Number: 13214-70-5
Synonyms: Naphthalene, 2,3-dibromo-, CID123298, AI3-26501

Molecular Formula: C10H6Br2Molecular Weight: 285.962640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GTILXPRQNNYDHT-UHFFFAOYSA-N

• 1H-Indazole-7-carboxaldehyde
IUPAC Name: 1H-indazole-7-carbaldehyde | CAS Registry Number: 312746-72-8
Synonyms: 1H-indazole-7-carbaldehyde, 7-Formylindazole, 7-Formyl-1H-indazole, 1H-Indazole-7-carbaldehyde;, CTK1C1601, HID1431, MolPort-004-766-178, ANW-53831, WTI-10920, AKOS006283731, AB26789, AG-F-03921, OR40230, RP21055, AK-72544, EN001932, KB-12367, A5664, FT-0691086, TL80091002

Molecular Formula: C8H6N2OMolecular Weight: 146.146040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WSCAEUWXSVHQJM-UHFFFAOYSA-N

• 4-Amino-4H-1,2,4-triazole-3-thiol
IUPAC Name: 4-amino-1H-1,2,4-triazole-5-thione | CAS Registry Number: 4343-75-3
Synonyms: MolPort-000-147-862, MolPort-002-360-795, NSC156612, STK133712, 4-Amino-3-mercapto-1,2,4-triazole, CID2735343, 4-amino-4H-1,2,4-triazole-3-thiol, 4-Amino-3-mercacpto-1,2,4(4H)-triazole, T0512-4637

Molecular Formula: C2H4N4SMolecular Weight: 116.144960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DLLBXBCKFUPBJE-UHFFFAOYSA-N

• 4'-Nitrobenzanilide
IUPAC Name: N-(4-nitrophenyl)benzamide | CAS Registry Number: 3393-96-2
Synonyms: 4-Nitrobenzanilide, p'-Nitrobenzanilide, N-Benzoyl-p-nitroaniline, Benzanilide, 4'-nitro, Benzanilide, 4'-nitro-, N-(p-Nitrophenyl)benzamide, N-(4-Nitro-phenyl)-benzamide, Oprea1_523402, Benzamide, N-(4-nitrophenyl)-, Aniline, N-benzoyl-p-nitro-, MLS001205091, ARONIS014425, Benzamide, N-(p-nitrophenyl)-, AIDS066698, AIDS-066698, NSC82120, EINECS 222-241-2, ZINC03851668, BAS 00028480, SMR000504786

Molecular Formula: C13H10N2O3Molecular Weight: 242.230100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GMGQGZYFQSCZCW-UHFFFAOYSA-N

• 2-Fluorobenzamide
IUPAC Name: 2-fluorobenzamide | CAS Registry Number: 445-28-3
Synonyms: o-Fluorobenzamide, ortho-Fluorobenzamide, Benzamide, o-fluoro-, Benzamide, 2-fluoro-, o-Fluorobenzoic acid amide, 121703_ALDRICH, EINECS 207-157-6, BRN 2325863, ZINC00039562, LS-26846, ST5331246, 3-09-00-01326 (Beilstein Handbook Reference)

Molecular Formula: C7H6FNOMolecular Weight: 139.127043 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KGGHWIKBOIQEAJ-UHFFFAOYSA-N

• 1-(2-Thienyl)ethylamine
IUPAC Name: 1-thiophen-2-ylethanamine | CAS Registry Number: 6309-16-6
Synonyms: 1-thien-2-ylethanamine, 1-Thiophen-2-yl-ethylamine, 1-(thiophen-2-yl)ethanamine, NSC42522, MolPort-001-756-568, ALBB-000031, CID238233, STK042285, GL-0327, T80187, T5440601

Molecular Formula: C6H9NSMolecular Weight: 127.207360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LYJBVRVJQXVVPI-UHFFFAOYSA-N

• 1-Bromododecane-D25
IUPAC Name: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecane | CAS Registry Number: 204259-66-5
Synonyms: Lauryl bromide-d25, 1-Bromododecane-d25, 487511_ALDRICH, AKOS015913093, I14-47114

Molecular Formula: C12H25BrMolecular Weight: 274.384944 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PBLNBZIONSLZBU-VVZIYBSUSA-N

• 1,1,3-Triethoxypropane
IUPAC Name: 1,1,3-triethoxypropane | CAS Registry Number: 7789-92-6
Synonyms: 1,3,3-Triethoxypropane, Propane, 1,1,3-triethoxy-, 3-Ethoxypropanal diethyl acetal, E7509_ALDRICH, 3-Ethoxypropionaldehyde diethyl acetal, PROPANE, 1,3,3-TRIETHOXY-, WLN: 2OYO2&2O2, 3-Ethoxypropionaldehydediethylacetal, EINECS 232-193-4, NSC 71868, CID24624, NSC71868, .beta.-Ethoxypropionaldehyde diethyl acetal, BRN 1098506, beta-Ethoxypropionaldehyde diethyl acetal, ZINC01697297, AI3-06431, Propionaldehyde, 3-ethoxy-, diethyl acetal, LS-121097, 4-01-00-03971 (Beilstein Handbook Reference)

Molecular Formula: C9H20O3Molecular Weight: 176.253300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LGICWIVABSMSDK-UHFFFAOYSA-N

• (3-Bromopropyl)triethylammonium bromide
IUPAC Name: 3-bromopropyl(triethyl)azanium;bromide | CAS Registry Number: 3720-84-1
Synonyms: AGN-PC-00N0WN, 338486_ALDRICH, CTK4H7896, AKOS015913288, AG-F-30319, 1-Propanaminium, 3-bromo-N,N,N-triethyl-, bromide, I14-45562, 1-Propanaminium,3-bromo-N,N,N-triethyl-, bromide (1:1), (3-Bromopropyl)triethylammoniumbromide (7CI);1-Propanaminium, 3-bromo-N,N,N-triethyl-, bromide (9CI);Ammonium, (3-bromopropyl)triethyl-, bromide (8CI);

Molecular Formula: C9H21Br2NMolecular Weight: 303.077740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FNKGNRUAIHVWNL-UHFFFAOYSA-M

• (+/-)-Metanephrine hydrochloride
IUPAC Name: 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol hydrochloride | CAS Registry Number: 881-95-8
Synonyms: Metanephrine HCl, Prestwick_906, Metanephrine hydrochloride, Metanephrine hydrochloride DL, (+-)-Metanephrine hydrochloride, EINECS 212-922-2, MolPort-003-958-856, Adrenaline, 3-methoxy-, hydrochloride, EINECS 225-809-8, CID102502, LS-30766, LT00451990, alpha-((Methylamino)methyl)vanillyl alcohol hydrochloride, (+-)-alpha-((Methylamino)methyl)vanillyl alcohol hydrochloride, Vanillyl alcohol, alpha-((methylamino)methyl)-, hydrochloride, (+-)-4-Hydroxy-3-methoxy-alpha-((methylamino)methyl)benzenemethanol hydrochloride, Benzenemethanol, 4-hydroxy-3-methoxy-alpha-((methylamino)methyl)-, hydrochloride, (+-)-, Vanillyl alcohol, alpha-((methylamino)methyl)-, hydrochloride (8CI), 5090-31-3

Molecular Formula: C10H16ClNO3Molecular Weight: 233.691940 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: HRIQFVCFOPJYEQ-UHFFFAOYSA-N

• 3-Amino-N,N-dimethyl-4-nitroaniline
IUPAC Name: 1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine | CAS Registry Number: 2069-71-8
Synonyms: ZINC04262439, CID2733451, ST5405245, D1179

Molecular Formula: C8H11N3O2Molecular Weight: 181.191840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WJTOMXLUNDWLCY-UHFFFAOYSA-N

• 2,4-Dichloro-3-fluoronitrobenzene
IUPAC Name: 1,3-dichloro-2-fluoro-4-nitrobenzene | CAS Registry Number: 393-79-3
Synonyms: NSC10242, CID223081

Molecular Formula: C6H2Cl2FNO2Molecular Weight: 209.989983 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JSEVUBOYVADSHX-UHFFFAOYSA-N

• 5alpha-Pregnan-3alpha-ol-20-one
IUPAC Name: 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone | CAS Registry Number: 516-54-1
Synonyms: Allopregnanolone, Allopregnalone, 3alpha-OH-DHP, 3-alpha-OH DHP, Allotetrahydroprogesterone, Allopregnan-3alpha-ol-20-one, 3a,5a-THP, 3-alpha,5-alpha-Pregnanolone, Biomol-NT_000266, P8887_SIGMA, BPBio1_000728, CHEBI:50169, MolPort-003-892-356, 3-alpha-Hydroxy-5-alpha-pregnan-20-one, 5alpha pregnan 3alpha ol 20 one, 3-alpha,5-alpha-Tetrahydroprogesterone, C21H34O2, CID92786, BRN 3211363, LMST02030156

Molecular Formula: C21H34O2Molecular Weight: 318.493460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AURFZBICLPNKBZ-SYBPFIFISA-N

• (+)-(1-Oxyl-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl methanethiosulfonate
IUPAC Name: (1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy-methyl-oxo-sulfanylidene-$l^{6}-sulfane | CAS Registry Number: 681034-14-0
Synonyms: AG-G-59768, (+)-(1-OXYL-2,2,5,5-TETRAMETHYLPYRROLIDIN-3-YL)METHYL METHANETHIOSULFONATE, CTK5C7311, AG-G-59769, FT-0673452, FT-0673453

Molecular Formula: C10H21NO3S2Molecular Weight: 267.408640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: FEEBHMJXHAORCL-UHFFFAOYSA-N

• 3-Methylrhodanine
IUPAC Name: 3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one | CAS Registry Number: 4807-55-0
Synonyms: N-Methylrhodanine, Methylrhodanine, Rhodanine, N-methyl-, Rhodanine, 3-methyl-, USAF T-2, 4-Thiazolidinone, 3-methyl-2-thioxo-, NCIOpen2_000261, M80458_ALDRICH, MLS001074954, NSC 65351, TPC-B014, NSC14787, NSC42903, EINECS 225-367-6, Rhodanine-Related Derivatives 18, WLN: T5SYNV EHJ BUS C1, CHEBI:474871, MolPort-000-500-329, NSC 14787, NSC 42903

Molecular Formula: C4H5NOS2Molecular Weight: 147.218600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JKLZCQWVERBDEZ-UHFFFAOYSA-N

• 2-(5-Chloro-3-Methylbenzo[B]Thiophen-2-Yl)Acetic Acid
IUPAC Name: 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid | CAS Registry Number: 51527-19-6
Synonyms: Tianafac, Tianafacum, Tianafaco, Tianafacum [INN-Latin], Maybridge3_004243, UNII-P0T3ZRK3XV, Tianafaco [INN-Spanish], Oprea1_528058, CID68686, MWP00226, IDI1_015630, 5-Chloro-3-methylbenzo(b)thiophene-2-acetic acid, Benzo(b)thiophene-2-acetic acid, 5-chloro-3-methyl-

Molecular Formula: C11H9ClO2SMolecular Weight: 240.705960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QNJIHQOPIPJYLU-UHFFFAOYSA-N

• 1-Bromo-2-fluoro-4-iodobenzene
IUPAC Name: 1-bromo-2-fluoro-4-iodobenzene | CAS Registry Number: 136434-77-0
Synonyms: 4-Bromo-3-fluoroiodobenzene, 3-fluoro-4-bromo iodobenzene, 3-fluoro-4-bromo-iodobenzene, AG-D-74266, PubChem3231, AC1MBFYO, AC1Q4LRF, ACMC-209c5x, SureCN205219, KSC490O1H, 638404_ALDRICH, CTK3J0713, MolPort-000-152-066, ACT00822, ANW-20035, ZINC02584358, Benzene, 1-bromo-2-fluoro-4-iodo-, AKOS005063893, AM61317, AS00285

Molecular Formula: C6H3BrFIMolecular Weight: 300.894893 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OCODJNASCDFXSR-UHFFFAOYSA-N

• 8-N-Boc-5,6,7,8-Tetrahydro-1,8-naphthyridin-2-propoinic acid
IUPAC Name: 3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid | CAS Registry Number: 886362-45-4
Synonyms: 3-(8-(tert-butoxycarbonyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoic acid, 8-N-Boc-5,6,7,8-tetrahydro-1,8-naphthyridin-2-propionic acid, 8-N-Boc-5,6,7,8-Tetrahydro-1,8-Naphthyridin-2-propoinicacid, 8-N-Boc-5,6,7,8-Tetrahydro-1,8-Naphthyridin-2-propoinic acid, SureCN3138861, CTK3E6952, MolPort-002-500-139, ACT10780, AKOS016009564, AG-H-58081, QC-7556, AK111221, A13647, S14-2149, 1,8-Naphthyridine-7(2H)-propanoicacid, 1-[(1,1-dimethylethoxy)carbonyl]-3,4-dihydro-, 7-(2-carboxy-ethyl)-3,4-dihydro-2h-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester, 1,8-Naphthyridine-2-propanoicacid, 8-[(1,1-dimethylethoxy)carbonyl]-5,6,7,8-tetrahydro- (9CI);8-N-Boc-5,6,7,8-Tetrahydro-1,8-naphthyridin-2-propoinic acid;

Molecular Formula: C16H22N2O4Molecular Weight: 306.356880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: SNBBUGPPZLKWMD-UHFFFAOYSA-N

• 4-(Methylsulfinyl)-L-2-aminobutanoyl-L-alpha-glutamyl-L-histidyl-L-phenylalanyl-D-lysyl-L-phenylalanine
IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2R)-6-amino-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylsulfinylbutanoyl]amino]-5-oxopentanoic acid | CAS Registry Number: 50913-93-4

Molecular Formula: C40H55N9O10SMolecular Weight: 853.993 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 14

InChIKey: WJXHMYHJQXWRHC-PLULSYJPSA-N

• 2-Nitrothiophene-4-carboxylic acid
IUPAC Name: 5-nitrothiophene-3-carboxylate | CAS Registry Number: 40357-96-8
Synonyms: ZINC01024446, CID6975462

Molecular Formula: C5H2NO4S-Molecular Weight: 172.138680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VNJUNWUOAKEIKG-UHFFFAOYSA-M

• 3-Fluoro-3-deoxy-D-xylofuranose
IUPAC Name: 4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol | CAS Registry Number: 14537-01-0
Synonyms: 4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol, AC1MXMWG, SureCN10491608, 3-Deoxy-3-fluoro-D-xylofuranose, 3-Deoxy-3-fluoro-D-xylofuranose 97%, 4-fluoranyl-5-(hydroxymethyl)oxolane-2,3-diol, A808356

Molecular Formula: C5H9FO4Molecular Weight: 152.120963 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: NZBLAOXQXYQYNW-UHFFFAOYSA-N

• 1H-Imidazole
IUPAC Name: 1,2,4,5-tetradeuterioimidazole | CAS Registry Number: 6923-01-9
Synonyms: Imidazole-d4, 366021_ALDRICH, 437298_ALDRICH, 1H-Imidazole-1,2,4,5-d4, AKOS015913565, FT-0670295, I14-46568

Molecular Formula: C3H4N2Molecular Weight: 72.101907 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RAXXELZNTBOGNW-MSWVZFBTSA-N

• 25-Hydroxycholesterol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 2140-46-7
Synonyms: Cholest-5-ene-3beta,25-diol, 5-Cholestene-3beta,25-diol, (3beta)-cholest-5-en-3-ol, 25-Hydroxycholest-5-en-3-ol, CHEBI:42977, AIDS080407, AIDS-080407, CID65094, CPD-7285, LMST01010018, DB04705, (3BETA)-CHOLEST-5-ENE-3,25-DIOL, NCGC00181327-01, C15519, HC3, (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Molecular Formula: C27H46O2Molecular Weight: 402.652940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: INBGSXNNRGWLJU-ZHHJOTBYSA-N

• 2,3,4,5,6-Pentamethylbenzyl Alcohol
IUPAC Name: (2,3,4,5,6-pentamethylphenyl)methanol | CAS Registry Number: 484-66-2
Synonyms: Maybridge1_002919, DivK1c_001671, 440620_ALDRICH, 2,3,4,5,6-Pentamethylbenzyl alcohol, CDS1_000631, EINECS 207-609-2, ZINC01048163, CD02784, CID1241629, (2,3,4,5,6-pentamethylphenyl)methanol, I01-0216

Molecular Formula: C12H18OMolecular Weight: 178.270720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: CMBCAWNOBIGGTE-UHFFFAOYSA-N

• 2-Acetamido-4-fluorobenzoic acid
IUPAC Name: 2-acetamido-4-fluorobenzoic acid | CAS Registry Number: 394-27-4
Synonyms: ST51041383, 2-(acetylamino)-4-fluorobenzoic acid, PubChem12469, ACMC-20ao6h, AC1Q1KJ6, SureCN7144739, 543063_ALDRICH, AC1MC477, CTK4I1352, MolPort-000-150-775, N-Acetyl-4-fluoroanthranilic acid, 2-Acetylamino-4-fluorobenzoic acid, SBB092124, 2-acetamido-4-fluoranyl-benzoic acid, AKOS000149725, AG-F-39344, MCULE-1844406156, Benzoic acid,2-(acetylamino)-4-fluoro-, AK135703, KB-19304

Molecular Formula: C9H8FNO3Molecular Weight: 197.163123 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FQNDKDYHEFCPRW-UHFFFAOYSA-N

• (R)-Aminocarnitine
IUPAC Name: (3R)-3-amino-4-(trimethylazaniumyl)butanoate | CAS Registry Number: 98063-21-9
Synonyms: emeriamine, Aminocarnitine, 3-Amino-4-trimethylaminobutyric acid, CID121830, LS-186823, 1-Propanaminium, 2-amino-3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, (R)-

Molecular Formula: C7H16N2O2Molecular Weight: 160.214140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DAWBGYHPBBDHMQ-ZCFIWIBFSA-N

• 4,5-Diamino-6-mercaptopyrimidine
IUPAC Name: 5,6-diamino-1H-pyrimidine-4-thione | CAS Registry Number: 2846-89-1
Synonyms: 5,6-Diaminopyrimidine-4-thiol, 4-Pyrimidinethiol, 5,6-diamino-, NSC30021, EINECS 220-644-8, ZINC02564944, 5,6-diaminopyrimidin-4-yl hydrosulfide, 4(1H)-Pyrimidinethione, 5,6-diamino-, 4,5-DIAMINO-6-MERCAPTOPYRIRIMIDENE, AI3-52206, AB-323/25048432

Molecular Formula: C4H6N4SMolecular Weight: 142.182240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LFJKVEOWXYKQGT-UHFFFAOYSA-N

• 1,2-Diphenylethylamine
IUPAC Name: 1,2-di(phenyl)ethanamine | CAS Registry Number: 25611-78-3
Synonyms: alpha-Benzylbenzylamine, alpha-Phenylphenethylamine, alpha-Phenylbenzeneethanamine, alpha,beta-Diphenylethylamine, 1-Amino-1,2-diphenylethane, Phenethylamine, alpha-phenyl-, Oprea1_325648, 137022_ALDRICH, Benzeneethanamine, alpha-phenyl-, EINECS 247-126-4, SBB000367, Benzeneethanamine, alpha-phenyl- (9CI), LS-103705

Molecular Formula: C14H15NMolecular Weight: 197.275600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DTGGNTMERRTPLR-UHFFFAOYSA-N

• 4-sec-Butyl-2,6-di-tert-butylphenol
IUPAC Name: 4-butan-2-yl-2,6-ditert-butylphenol | CAS Registry Number: 17540-75-9
Synonyms: 372110_ALDRICH, 2,6-Di-tert-butyl-4-sec-butylphenol, NSC14460, MolPort-003-931-206, CID86583, EINECS 241-533-0, NSC 14460, Phenol, 4-sec-butyl-2,6-di-tert-butyl-, B2774, Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)-

Molecular Formula: C18H30OMolecular Weight: 262.430200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BFZOTKYPSZSDEV-UHFFFAOYSA-N

• 3-(Trihydroxysilyl)propanesulfonic acid
IUPAC Name: 3-trihydroxysilylpropane-1-sulfonic acid | CAS Registry Number: 70942-24-4
Synonyms: CID116941, 1-Propanesulfonic acid, 3-(trihydroxysilyl)-

Molecular Formula: C3H10O6SSiMolecular Weight: 202.258400 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: WYTQXLFLAMZNNZ-UHFFFAOYSA-N

• 3,3'-Dipropylthiacarbocyanine iodide
IUPAC Name: 3-propyl-2-[3-(3-propyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;iodide | CAS Registry Number: 53336-12-2
Synonyms: CTK8F4773, AG-F-82890, 3-propyl-2-{(E)-3-[3-propyl-1,3-benzothiazol-2(3H)-ylidene]-1-propenyl}-1,3-benzothiazol-3-ium iodide;

Molecular Formula: C23H25IN2S2Molecular Weight: 520.492470 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JGTCEHAVVINOPG-UHFFFAOYSA-M


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