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Frontage Laboratories, Inc.

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Web: http://www.frontagelab.com
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Address: 105 Great Valley Parkway, Malvern, Pennsylvania 19355, USA
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Profile: Frontage Laboratories, Inc. deals with formulation development, API manufacturing, clinical trial materials manufacturing and analytical services. We also provide bioanalytical services. Our products include (2s)-1-(2-pyridinylamino)-2-propanol, 1,4-benzodioxane-5-carboxylic acid, 1-methyl-1h-pyrrole-2-carbonnitrile, 1-n-boc-2-cyano-piperidine, 1-n-boc-2-cyano-pyrrolidine, 1-n-boc-3-cyano-piperidine, 1-n-boc-3-cyano-pyrrolidine, 1-n-boc-3-piperidone and 2,3-dimethoxy-1,4-benzoquinone.

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• Benzofuran-2-carbonyl chloride
IUPAC Name: 1-benzofuran-2-carbonyl chloride | CAS Registry Number: 41717-28-6
Synonyms: Coumariloyl chloride, Coumarilic acid chloride, 2-BENZOFURANCARBONYL CHLORIDE, NSC 162303, BRN 0124676, NSC162303, SBB007360, ZINC01627448, LS-34907, 4-18-00-04248 (Beilstein Handbook Reference)

Molecular Formula: C9H5ClO2Molecular Weight: 180.587800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZJDRDTZQVOCKPI-UHFFFAOYSA-N

• Cyclohexanecarboximidamide, 4-(aminomethyl)-
IUPAC Name: 4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride | CAS Registry Number: 162696-05-1
Synonyms: 4-(Aminomethyl)piperidineinformamidine dihydrochloride, 4-(aminomethyl)piperidineinformamidinedihydrochloride, 4-(aminomethyl)piperidine-1-carboximidamide Dihydrochloride, 155542-32-8, 4-(aminomethyl)piperidineformamidine dihydrochloride, 4-(AMINOMETHYL)PIPERIDINEINFORMAMIDINE 2HCL, c-(4-aminomethyl-piperidin-1-yl)-methanediamine, dihydrochloride, 4-(Aminomethyl)piperidineformamidine, AC1MBTQ3, SureCN5089336, CTK8E9564, AKOS015911219, AB12849, AC-6573, 4-(aminomethyl)piperidineformamidinedihydrochloride, 4-(aminomethyl)-piperidineinformamidine dihydrochloride, I14-39264, 4-(aminomethyl) piperidine informamidine, dihydrochloride, 4-(aminomethyl)piperidine-1-carboxamidine dihydrochloride

Molecular Formula: C7H18Cl2N4Molecular Weight: 229.150620 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 2

InChIKey: SCYHILJFOFBJDF-UHFFFAOYSA-N

• Cyclopent-3-enecarboxylic acid
IUPAC Name: cyclopent-3-ene-1-carboxylate | CAS Registry Number: 7686-77-3
Synonyms: ZINC00396187, CID6950855

Molecular Formula: C6H7O2-Molecular Weight: 111.118580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XVSYDLITVYBCBD-UHFFFAOYSA-M

• Dimethyl 1,10-Decanedicarboxylate
IUPAC Name: dimethyl dodecanedioate | CAS Registry Number: 1731-79-9
Synonyms: Dimethyl dodecanedioate, DODECANEDIOIC ACID, DIMETHYL ESTER, Dodecanedioic acid dimethyl ester, Dimethyl 1,10-decanedicarboxylate, EINECS 217-050-6, NSC118878, SBB007707, ZINC04255613, FR-0151

Molecular Formula: C14H26O4Molecular Weight: 258.353840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IZMOTZDBVPMOFE-UHFFFAOYSA-N

• Dimethyl 3-methylglutarate
IUPAC Name: dimethyl 3-methylpentanedioate | CAS Registry Number: 19013-37-7
Synonyms: Dimethyl 3-methylpentanedioate, Dimethyl3-Methylglutarate, 3-methyl-pentanedioic acid dimethyl ester, Glutaric acid, 3-methyl-, dimethyl ester, Pentanedioic acid, 3-methyl-, dimethyl ester, ZINC02545401, AC1LASQK, ACMC-1C3GG, 375233_ALDRICH, CTK4E0308, MolPort-002-498-070, ANW-63015, AKOS015899845, AC-6517, AK-96066, KB-76608, FT-0625032, FT-0625111, Pentanedioic acid,3-methyl-, 1,5-dimethyl ester, I14-11861

Molecular Formula: C8H14O4Molecular Weight: 174.194360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YIJLMTNDXYVGPQ-UHFFFAOYSA-N

• Ethyl 2-(trifluoromethyl sulfonyloxy)-1-cyclohexene-1-carboxylate
IUPAC Name: ethyl 2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate | CAS Registry Number: 122135-83-5
Synonyms: NSC698179, Ethyl 2-(trifluoromethyl sulfonyloxy)-1-cyclohenxene-1-carboxylate, ethyl 2-{[(trifluoromethyl)sulfonyl]oxy}cyclohex-1-ene-1-carboxylate, 2-trifluoromethanesulfonyloxy-cyclohex-1-enecarboxylic acid ethyl ester, AC1L98MF, CTK8D1962, AC1Q6467, ACT07855, AR-1I8235, AKOS015911220, AC-6510, NSC-698179, Ethyl 2-(trifluoromethylsulfonyloxy)-1-, NCI60_035125, KB-201201, I14-39266, ethyl 2-(trifluoromethyl sulfonyloxy) cyclohexene-1-carboxylate, ethyl 2-(trifluoromethylsulfonyloxy)cyclohex-1-enecarboxylate, ethyl 2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate, ethyl 2-(trifluoromethyl sulfonyloxy)-1-cyclohexene-1-carboxylate

Molecular Formula: C10H13F3O5SMolecular Weight: 302.267430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: VWIUHGUFSGOXDX-UHFFFAOYSA-N

• Ethyl 2-(trifluoromethyl sulfonyloxy)benzoate
IUPAC Name: ethyl 2-(trifluoromethylsulfonyloxy)benzoate | CAS Registry Number: 179538-97-7
Synonyms: Ethyl 2-(trifluoromethylsulfonyloxy)benzoate, Ethyl 2-(trifluoromethyl sulfonyloxy) benzoate, Ethyl2-(trifluoromethylsulfonyloxy)benzoate, 2-Trifluoromethanesulfonyloxy-benzoic acid ethyl ester, AC1MBZ9S, AKOS015911255, AC-6511, I14-39271

Molecular Formula: C10H9F3O5SMolecular Weight: 298.235670 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: VDPKUXGAEQOPME-UHFFFAOYSA-N

• Ethyl 2-amino-4-methylthiazole-5-carboxylate
IUPAC Name: ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate | CAS Registry Number: 7210-76-6
Synonyms: Maybridge1_006207, Oprea1_412981, Oprea1_686518, CBDivE_011946, 646016_ALDRICH, ZERO/001976, AIDS019677, AIDS-019677, ALBB-000267, NSC400231, ZINC00035844, 2-Amino-4-methyl-5-carbethoxythiazole, 2-Amino-4-methyl-5-(ethoxycarbonyl)thiazole, EU-0004739, TL80073557, 5-Thiazolecarboxylic acid, 2-amino-4-methyl-, ethyl ester, Ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate, SR-01000431778-2, 2-Amino-4-methyl-5-thiazolecarboxylic acid, ethyl ester

Molecular Formula: C7H10N2O2SMolecular Weight: 186.231500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WZHUPCREDVWLKC-UHFFFAOYSA-N

• H-Asn-OMe HCl
IUPAC Name: methyl (2S)-2,4-diamino-4-oxobutanoate hydrochloride | CAS Registry Number: 57461-34-4
Synonyms: Methyl L-asparaginate monohydrochloride, EINECS 260-748-0, CID6453494

Molecular Formula: C5H11ClN2O3Molecular Weight: 182.605440 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: QOMQXHIJXUDQSS-DFWYDOINSA-N

• Monomethyl 3-Methylglutarate
IUPAC Name: 5-methoxy-3-methyl-5-oxopentanoic acid | CAS Registry Number: 27151-65-1
Synonyms: NSC249823, CID317555, 3-METHYLPENTANEDIOIC ACID, MONOMETHYL ESTER

Molecular Formula: C7H12O4Molecular Weight: 160.167780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BYBMHSADRRMVHY-UHFFFAOYSA-N

• N,N,N',N'-Tetramethyl Guanidine
IUPAC Name: 1,1,3,3-tetramethylguanidine | CAS Registry Number: 80-70-6
Synonyms: 1,1,3,3-Tetramethylguanidine, N,N,N',N'-Tetramethylguanidine, Guanidine, N,N,N',N'-tetramethyl-, Guanidine, 1,1,3,3-tetramethyl-, 241768_ALDRICH, CCRIS 6689, EINECS 201-302-7, NSC148309, NSC 148309, AI3-51030, Guanidine, 1,1,3,3-tetramethyl- (8CI), InChI=1/C5H13N3/c1-7(2)5(6)8(3)4/h6H,1-4H, 142118-43-2, 1729-17-5, 197451-33-5

Molecular Formula: C5H13N3Molecular Weight: 115.176820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KYVBNYUBXIEUFW-UHFFFAOYSA-N

• N-(2-Aminoethyl)-N-methyl carbamic acid tert-butyl ester
IUPAC Name: tert-butyl N-(2-aminoethyl)-N-methylcarbamate | CAS Registry Number: 121492-06-6
Synonyms: N-Boc-N-methylethylenediamine, n-boc-n-methyl-ethylenediamine, N-Boc-(2-Aminoethyl)-N-methylamine, tert-Butyl N-(2-aminoethyl)-N-methylcarbamate, SBB070199, AG-D-46613, tert-butyl 2-aminoethyl(methyl)carbamate, tert-Butyl N-methyl-N-(2-aminoethyl)carbamate, N-(2-Aminoethyl)-N-methylcarbamicacidtert-butylester, AC1MBTJH, AC1Q3XHB, ACMC-1C5QR, boc-n-methylethylenediamine, KSC495C7R, 15567_ALDRICH, (n-boc-n-methyl)ethylenediamine, N-boc-N-methyl ethyl enediamine, 15567_FLUKA, CTK3J5178, MolPort-000-151-049

Molecular Formula: C8H18N2O2Molecular Weight: 174.240720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QYJVBVKFXDHFPQ-UHFFFAOYSA-N

• N-(3-amino-propyl)-n-methylcarbamic Acid T-butyl Ester
IUPAC Name: tert-butyl N-(3-aminopropyl)-N-methylcarbamate | CAS Registry Number: 150349-36-3
Synonyms: N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester, tert-butyl N-(3-aminopropyl)-N-methylcarbamate, tert-butyl 3-aminopropyl(methyl)carbamate, n-boc-n-methyl-1,3-diaminopropane, SBB070308, AG-D-87260, tert-Butyl N-(3-aminopropyl)-N-(methyl)carbamate, N-(3-Aminopropyl)-N-methylcarbamicacidtert-butylester, N-(3-Amino-propyl)-n-methylcarbamic acid t-butyl ester, N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester citrate, Carbamic acid,N-(4-aminobutyl)-N-methyl-, 1,1-dimethylethyl ester, AC1MBTTF, PubChem17193, AC1Q3XGT, ACMC-1BXU6, boc-n-me-1,3-diaminopropane, Jsp002865, CTK4C3991, MolPort-000-151-218, ACT09596

Molecular Formula: C9H20N2O2Molecular Weight: 188.267300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PNQYAMWGTGWJDW-UHFFFAOYSA-N

• N-Boc-Imino(triphenyl)phosphorane
IUPAC Name: tert-butyl N-(triphenyl-$l^{5}-phosphanylidene)carbamate | CAS Registry Number: 68014-21-1
Synonyms: N-Boc-Imino-(triphenyl)phosphorane, AG-G-58928, AC1MBUEJ, PubChem21840, tert-butyl N-(triphenyl-, KSC497Q2R, CTK3J7828, MolPort-000-151-695, ACT08700, ANW-48028, SBB062900, AKOS015899721, AC-6553, AK-44740, BR-44740, KB-57835, FT-0603767, W7833, A26279, I14-1114

Molecular Formula: C23H24NO2PMolecular Weight: 377.415922 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KNXPVXCUELYHDM-UHFFFAOYSA-N

• NH2-C2-NH-Boc
IUPAC Name: tert-butyl N-(2-aminoethyl)carbamate | CAS Registry Number: 57260-73-8
Synonyms: N-Boc-ethylenediamine, N-Boc-1,2-diaminoethane, 419923_ALDRICH, 15369_FLUKA, tert-Butyl N-(2-aminoethyl)carbamate, AW 00372, TL8003688, C-1112

Molecular Formula: C7H16N2O2Molecular Weight: 160.214140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AOCSUUGBCMTKJH-UHFFFAOYSA-N

• Tert-Butyl [3-(aminomethyl)phenyl]carbamate
IUPAC Name: tert-butyl N-[3-(aminomethyl)phenyl]carbamate | CAS Registry Number: 205318-52-1
Synonyms: 3-(Aminomethyl)-1-N-Boc-aniline, tert-butyl 3-(aminomethyl)phenylcarbamate, 3-aminobenzylamine, 3-boc protected, AC1MBTO8, SureCN165660, Tert-butyl N-[3-(aminomethyl)phenyl]carbamate, Ambpe2001923, 3-aminomethyl-1-n-boc-aniline, 3-(aminomethyl)-1n-boc-aniline, CTK4E4444, MolPort-000-151-130, ANW-47318, SBB096338, AKOS000169405, AC-6574, AG-E-50577, RP27400, 3-(Aminomethyl)aniline, 1-BOC protected, 3-[(tert-Butoxycarbonyl)amino]benzylamine, AK-48012

Molecular Formula: C12H18N2O2Molecular Weight: 222.283520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NXQNEOIMZVWHQW-UHFFFAOYSA-N

• tert-Butyl N-[3-(aminomethyl)benzyl]carbamate
IUPAC Name: tert-butyl N-[[3-(aminomethyl)phenyl]methyl]carbamate | CAS Registry Number: 108467-99-8
Synonyms: Tert-butyl 3-(aminomethyl)benzylcarbamate, 1-(N-Boc-aminomethyl)-3-(aminomethyl)benzene, SBB052395, AG-D-24917, tert-ButylN-[3-(aminomethyl)benzyl]carbamate, N-tert-Butoxycarbonyl-1,3-bis(aminomethyl)benzene, Tert-butyl N-[[3-(aminomethyl)phenyl]methyl]carbamate, N-[[3-(Aminomethyl)phenyl]methyl]carbamic Acid 1,1-Dimethylethyl Ester, Tert-Butyl N-{[3-(Aminomethyl)Phenyl]Methyl}Carbamate, N-{[3-(aminomethyl)phenyl]methyl}(tert-butoxy)carboxamide, TERT-BUTYL N-([3-(AMINOMETHYL)PHENYL]METHYL)CARBAMATE, PubChem23597, ACMC-20a5uq, AC1MBSO3, SureCN184953, 535281_ALDRICH, AC1Q540O, CTK4A6056, MolPort-001-794-102, ANW-58512

Molecular Formula: C13H20N2O2Molecular Weight: 236.310100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GQAUPTTUSSLXPS-UHFFFAOYSA-N

• Tetrahydropyranyl-4-acetic acid
IUPAC Name: 2-(oxan-4-yl)acetic acid | CAS Registry Number: 85064-61-5
Synonyms: Tetrahydropyran-4-yl-acetic acid, CC 67401

Molecular Formula: C7H12O3Molecular Weight: 144.168380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PBXYNWPYMVWJAH-UHFFFAOYSA-N

• Tryptamine
IUPAC Name: 2-(1H-indol-3-yl)ethanamine | CAS Registry Number: 61-54-1
Synonyms: tryptamine, 3-(2-aminoethyl)indole, 1H-Indole-3-ethanamine, Indol-3-ethylamine, 2-(3-Indolyl)ethylamine, Indole, 3-(2-aminoethyl)-, 2-(Indol-3-yl)ethylamine, nchembio.141-comp2, Tryptamine hydrochloride, Spectrum_000033, 2-Indol-3-ylethylamine, Spectrum2_000873, Spectrum3_001890, Spectrum4_000850, Spectrum5_001296, Lopac-246557, 2-(1H-Indol-3-yl)ethanamine, Lopac0_000061, Oprea1_870097, BSPBio_003400

Molecular Formula: C10H12N2Molecular Weight: 160.215680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: APJYDQYYACXCRM-UHFFFAOYSA-N

• (3-Fluoro-4-benzyloxyphenyl)boronic acid
IUPAC Name: [3-fluoro-4-(phenylmethoxy)phenyl]boronic acid | CAS Registry Number: 133057-83-7
Synonyms: BM442, 4-Benzyloxy-3-fluorophenylboronic acid, ST5408371, TL8000786, 3-fluoro-4-((phenylmethyl)oxy)phenylboronic acid, AG-690/12763270

Molecular Formula: C13H12BFO3Molecular Weight: 246.041983 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DQPDLDQJMUGVGI-UHFFFAOYSA-N

• 1-(3-Hydroxypropyl)-4-methylpiperazine
IUPAC Name: 3-(4-methylpiperazin-1-yl)propan-1-ol | CAS Registry Number: 5317-33-9
Synonyms: 4-Methyl-1-piperazinepropanol, 1-Piperazinepropanol, 4-methyl-, EINECS 226-177-6, NSC351986, 3-(4-Methyl-1-piperazine)propan-1-ol, 1-(3-Hydroxypropyl)-4-methyl-piperazine, SL-01902

Molecular Formula: C8H18N2OMolecular Weight: 158.241320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JKRSQNBRNIYETC-UHFFFAOYSA-N

• 1-Boc-3-aminomethylpiperidine
IUPAC Name: tert-butyl 3-(aminomethyl)piperidine-1-carboxylate | CAS Registry Number: 162167-97-7
Synonyms: ALBB-006382, SBB011302, (R)-1-Boc-3-(aminomethyl)piperidine, BAS 10155807, FS011279, tert-butyl 3-(aminomethyl)piperidine-1-carboxylate, 3-Aminomethyl-piperidine-1-carboxylic acid tert-butyl ester, 140645-23-4

Molecular Formula: C11H22N2O2Molecular Weight: 214.304580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WPWXYQIMXTUMJB-UHFFFAOYSA-N

• 1-Boc-3-pyrrolidinone
IUPAC Name: tert-butyl 3-oxopyrrolidine-1-carboxylate | CAS Registry Number: 101385-93-7
Synonyms: N-Boc-3-pyrrolidinone, N-Boc-3-pyrrolidinol, 637564_ALDRICH, AIDS071255, AIDS-071255, ZINC04202590, tert-Butyl 3-oxopyrrolidinecarboxylate, N-(tert-Butoxycarbonyl)-3-pyrrolidinone, TL806112

Molecular Formula: C9H15NO3Molecular Weight: 185.220300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JSOMVCDXPUXKIC-UHFFFAOYSA-N

• 1-Boc-piperidin-4-ylacetic acid
IUPAC Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid | CAS Registry Number: 157688-46-5
Synonyms: Ambp909200, 1-Boc-4-piperidylacetic acid, 1-Boc-4-piperidineacetic acid, 81964_FLUKA, ALBB-006374, [1-(tert-butoxycarbonyl)piperidin-4-yl]acetic acid, 4-Carboxymethyl-piperidine-1-carboxylic acid, tert-butyl ester

Molecular Formula: C12H21NO4Molecular Weight: 243.299440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZXFLMSIMHISJFV-UHFFFAOYSA-N

• 1-Methylpyrrole-2-carbonitrile
IUPAC Name: 1-methylpyrrole-2-carbonitrile | CAS Registry Number: 34884-10-1
Synonyms: ZINC02584072, 1-methyl-1H-pyrrole-2-carbonitrile, CID2064111

Molecular Formula: C6H6N2Molecular Weight: 106.125240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JRQSGIQEBOZPHK-UHFFFAOYSA-N

• 1-N-Boc-3-Piperidone
IUPAC Name: tert-butyl 3-oxopiperidine-1-carboxylate | CAS Registry Number: 98977-36-7
Synonyms: 1-Boc-3-piperidone, 1-Boc-3-piperidinone, 650811_ALDRICH, ZINC04202422, ALBB-006250, CID2756825, tert-butyl 3-oxopiperidine-1-carboxylate, TL8006056

Molecular Formula: C10H17NO3Molecular Weight: 199.246880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RIFXIGDBUBXKEI-UHFFFAOYSA-N

• 1-Penten-3-Ol, 5-Amino-
IUPAC Name: 5-aminopent-1-en-3-ol | CAS Registry Number: 87487-96-5
Synonyms: 5-aminopent-1-en-3-ol, 1-Penten-3-ol, 5-amino-, AGN-PC-00AC3G, 5-Amino-pent-1-en-3-ol, CTK3E7836, AKOS006277332, RL05446, KB-41685, A67286, S14-2394

Molecular Formula: C5H11NOMolecular Weight: 101.146940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GTYDVILRLCJUHL-UHFFFAOYSA-N

• 13-Bromo-1-tridecanol
IUPAC Name: 13-bromotridecan-1-ol | CAS Registry Number: 116754-58-6
Synonyms: 13-bromotridecan-1-ol, 1-Tridecanol, 13-bromo-, ZINC01902008, ACMC-1BVSK, AC1LUO9L, 13-bromo-tridecan-1-ol, 13-Bromo-1-tridecanol;, 13-bromanyltridecan-1-ol, CTK0H3062, MolPort-000-704-444, BB_SC-0101, STK709216, AKOS005522597, AG-D-38292, MCULE-1397457487, FT-0642848, A803666, S14-2845

Molecular Formula: C13H27BrOMolecular Weight: 279.256880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FJBCXJNCEVECEC-UHFFFAOYSA-N

• 14-Bromo-1-tetradecanol
IUPAC Name: 14-bromotetradecan-1-ol | CAS Registry Number: 72995-94-9
Synonyms: ZINC04202300, CID2757182

Molecular Formula: C14H29BrOMolecular Weight: 293.283460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VKXZRJZWAYBBAE-UHFFFAOYSA-N

• 15-Bromo-1-pentadecanol
IUPAC Name: 15-bromopentadecan-1-ol | CAS Registry Number: 59101-27-8
Synonyms: 15-bromopentadecan-1-ol, ZINC03882165, AC1LBWWA, 15-bromo-pentadecan-1-ol, 1-Pentadecanol,15-bromo-, 15-Bromo-1-pentadecanol;, 15-bromanylpentadecan-1-ol, 1-Pentadecanol, 15-bromo-, CTK5A9437, MolPort-002-498-060, BB_SC-0099, BBL000588, STK097446, AKOS005396230, AG-G-10157, MCULE-4806172404, AK-35774, KB-217637, FT-0640578, A832155

Molecular Formula: C15H31BrOMolecular Weight: 307.310040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NFKUZUMZRQLYCW-UHFFFAOYSA-N

• 16-Bromo-1-hexadecanol
IUPAC Name: 16-bromohexadecan-1-ol | CAS Registry Number: 59101-28-9
Synonyms: B8161_SIGMA, ZINC04202299, CID2757013, Bioinformatics: Sequence, Structure and Databanks, A Practical Approach

Molecular Formula: C16H33BrOMolecular Weight: 321.336620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GOSQZSJMSMTIFI-UHFFFAOYSA-N

• 2,15-Hexadecanedione
IUPAC Name: hexadecane-2,15-dione | CAS Registry Number: 18650-13-0
Synonyms: hexadecane-2,15-dione, PubChem12800, AC1L9XRO, hexadecane-2,15-dione;, Jsp003817, CTK0H4234, ZINC04265852, AKOS015900377, AC-6505, AG-E-35697, AK-33855, KB-163688, FT-0637732, ST51053877, A813042, I14-0517

Molecular Formula: C16H30O2Molecular Weight: 254.408200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ANOHLAYDIMKILU-UHFFFAOYSA-N

• 2,4-Dichloro-5-EthylsulfanylmethylPyrimidine
IUPAC Name: 2,4-dichloro-5-(ethylsulfanylmethyl)pyrimidine | CAS Registry Number: 108141-35-1
Synonyms: 2,4-Dichloro-5-[(ethylthio)methyl]pyrimidine, Pyrimidine,2,4-dichloro-5-[(ethylthio)methyl]-, ACMC-20mbcs, AGN-PC-00N3UW, CTK4A5880, ZINC02381629, AKOS015910227, AC-6524, AG-D-24313, 2,4-dichloro-5-(ethylthiomethyl)pyrimidine, 2,4-Dichloro-5-ethylsulfanylmethylpyrimidine, FT-0687236, A-2316, Pyrimidine, 2,4-dichloro-5-[(ethylthio)methyl]-, I14-40001, 2,4-dichloro-5-[(ethylthio)methyl]pyrimidine;2,4-dichloro-5-ethylsulfanylmethyl-pyrimidine;

Molecular Formula: C7H8Cl2N2SMolecular Weight: 223.122820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LVMRWJLPIBPOMZ-UHFFFAOYSA-N

• 2,4-dichloro-5-methoxyaniline
IUPAC Name: 2,4-dichloro-5-methoxyaniline | CAS Registry Number: 98446-49-2
Synonyms: MLS000707240, ZINC01388874, 4L-348S, CID1476636, SMR000334622

Molecular Formula: C7H7Cl2NOMolecular Weight: 192.042580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AJROJTARXSATEB-UHFFFAOYSA-N

• 2,4-Dihydroxybenzaldehyde
IUPAC Name: 2,4-dihydroxybenzaldehyde | CAS Registry Number: 95-01-2
Synonyms: beta-Resorcylaldehyde, 4-Formylresorcinol, beta-Resorcaldehyde, beta-Resorcinaldehyde, beta-Rosorcaldehyde, 4-Hydroxysalicylaldehyde, .beta.-Resorcylaldehyde, 2,4-DIHYDROXYBENZALDEHYDE, beta-Resorcylic aldehyde, Benzaldehyde, 2,4-dihydroxy-, 4-Hydroxysalicyladehyde, .beta.-Resorcaldehyde, Salicylaldehyde, 4-hydroxy-, 2,4-Dihydroxybenzenecarbonal, .beta.-Resorcinaldehyde, 2,4-Dihydroxybenzaldehyd, .beta.-Resorcylic aldehyde, MLS001076174, 168637_ALDRICH, NSC 8690

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IUNJCFABHJZSKB-UHFFFAOYSA-N

• 2,6-Dichloronicotinic acid
IUPAC Name: 2,6-dichloropyridine-3-carboxylic acid | CAS Registry Number: 38496-18-3
Synonyms: 2,6-Dichloropyridine-3-carboxylic acid, 2,6-Dichloro-nicotinic acid, 2,6-Dichloronicotinincacid, 2,6-Dichloro-3-pyridinecarboxylic acid, 2,6-DICHLORONICOTININC ACID, dichloronicotinic acid, AG-F-35778, PubChem1225, AC1LGYTO, ACMC-209j0g, KSC223C9J, 658219_ALDRICH, AC1Q729L, AC1Q729M, Jsp006737, CTK1C3194, MolPort-000-002-885, BB_SC-3001, ACN-S002234, ACN-S004053

Molecular Formula: C6H3Cl2NO2Molecular Weight: 191.999520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AJPKQSSFYHPYMH-UHFFFAOYSA-N

• 2-(1-Hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione
IUPAC Name: 2-acetyl-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one | CAS Registry Number: 94142-97-9
Synonyms: 2-(1-hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione, 2-acetyldimedone(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl-dde, dde-oh, (4,4-Dimethyl-2,6-Dioxocyclohexylidene)Ethyl pound inverted question markAlcohoc, AC1LBZJA, PubChem23870, SureCN11609643, CTK1B5606, AKOS002236317, 2-Acetyldimedone(4,4-dimethyl-2,6-, AG-H-87609, AG-J-05671, AC-14489, KB-162167, FT-0642263, A11059, (4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl alcohol, 2-Acetyl-3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one, 2-acetyl-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one, 1-Cyclohexen-3-one, 2-acetyl-1-hydroxy-5,5-dimethyl-

Molecular Formula: C10H14O3Molecular Weight: 182.216360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DIJDAMFZOHSRID-UHFFFAOYSA-N

• 2-(boc-Amino)pyridine
IUPAC Name: tert-butyl N-pyridin-2-ylcarbamate | CAS Registry Number: 38427-94-0
Synonyms: 2-(Boc-amino)pyridine, 2-(tert-Butoxycarbonylamino)pyridine, tert-Butyl pyridin-2-ylcarbamate, tert-butyl N-(pyridin-2-yl)carbamate, Pyridin-2-yl-carbamic acid tert-butyl ester, CARBAMIC ACID, 2-PYRIDINYL-, 1,1-DIMETHYLETHYL ESTER, 2-BOC-aminopyridine,, PubChem17730, SureCN222110, AC1Q1NB6, AGN-PC-004CKW, KSC495I2J, 2-N-BOC-AMINOPYRIDINE, Jsp006726, CTK3J5424, MolPort-000-002-277, ACT08669, tert-Butyl (pyridin-2-yl)carbamate, AB2756, ANW-74573

Molecular Formula: C10H14N2O2Molecular Weight: 194.230360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ORUGTGTZBRUQIT-UHFFFAOYSA-N

• 2-Amino-6-Bromo-4-Methoxyphenol
IUPAC Name: tert-butyl (3S)-3-phenylpiperazin-4-ium-1-carboxylate | CAS Registry Number: 206872-01-7
Synonyms: ZINC02513101, ZINC04293754, CID7173867

Molecular Formula: C15H23N2O2+Molecular Weight: 263.355320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HRRFJZULVYGVNJ-CYBMUJFWSA-O

• 2-Amino-6-fluoro-3-nitrobenzoic acid ethyl ester
IUPAC Name: ethyl 2-amino-6-fluoro-3-nitrobenzoate | CAS Registry Number: 150368-37-9
Synonyms: Ethyl 2-amino-6-fluoro-3-nitrobenzoate, 2-Amino-6-fluoro-3-nitrobenzoicacidethylEster, Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester, Benzoic acid,2-amino-6-fluoro-3-nitro-, ethyl ester, ZINC04240293, AC1MBTKB, PubChem14263, ACMC-209xzz, SureCN940019, Jsp002866, Ambap150368-37-9, CTK4C6621, MolPort-000-151-074, ACT00525, ANW-48333, WT1619, AKOS015916999, AC-1468, AG-D-96997, Ethyl2-amino-6-fluoro-3-nitrobenzoate

Molecular Formula: C9H9FN2O4Molecular Weight: 228.177163 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: PJSMHOIXOKZIMX-UHFFFAOYSA-N

• 2-Amino-Benzothiazole-6-Carboxylic Acid Ethyl Ester
IUPAC Name: ethyl 2-amino-1,3-benzothiazole-6-carboxylate | CAS Registry Number: 50850-93-6
Synonyms: ZERO/004698, ALBB-005806, CID601008, Ethyl 2-amino-1,3-benzothiazole-6-carboxylate, STK396705, ZINC00050705, Ethyl 2-aminobenzothiazole-6-carboxylate, BAS 03421084, AH-357/03328062, 2-Amino-benzothiazole-6-carboxylic acid ethyl ester, InChI=1/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12

Molecular Formula: C10H10N2O2SMolecular Weight: 222.263600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VYJSGJXWKSDUSG-UHFFFAOYSA-N

• 2-aminomethyl-pyrrolidine-1-carboxylic Acid Tert-butyl Ester
IUPAC Name: [(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylazanium | CAS Registry Number: 177911-87-4
Synonyms: ZINC04202585

Molecular Formula: C10H21N2O2+Molecular Weight: 201.285940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SOGXYCNKQQJEED-MRVPVSSYSA-O

• 2-nitro-5-hydroxybenzaidehyde
IUPAC Name: 5-hydroxy-2-nitrobenzaldehyde | CAS Registry Number: 42454-06-8
Synonyms: 5-Hydroxy-2-nitrobenzaldehyde, 3-Formyl-4-nitrophenol, Ambap4511, 6-Nitro-3-hydroxybenzaldehyde, H48107_ALDRICH, 55972_FLUKA, EINECS 255-832-9, NSC 93899, BENZALDEHYDE, 5-HYDROXY-2-NITRO-, CID39211, NSC93899, BRN 1910196, LS-25078, 4-08-00-00250 (Beilstein Handbook Reference), InChI=1/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XLYPHUGUKGMURE-UHFFFAOYSA-N

• 3,4-Difluorophenylboronic Acid
IUPAC Name: (3,4-difluorophenyl)boronic acid | CAS Registry Number: 168267-41-2
Synonyms: 3,4-Difluorophenylboronic acid, 465089_ALDRICH, 3,4-Difluorobenzeneboronic acid, (3,4-difluorophenyl)boronic acid, ALBB-006122, D2680G1, AC 35916, TL8001301

Molecular Formula: C6H5BF2O2Molecular Weight: 157.910506 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RMGYQBHKEWWTOY-UHFFFAOYSA-N

• 3,5-Bis(trifluoromethyl)benzylaminehydrochloride
IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanamine;hydrochloride | CAS Registry Number: 42365-62-8
Synonyms: (3,5-bis(trifluoromethyl)phenyl)methanamine hydrochloride, 3,5-Bis(trifluoromethyl)benzylamine hydrochloride, 3,5-Bis(trifluoromethyl)benzylamineHCl, CTK8C4725, MolPort-002-500-063, ACT12975, ANW-72925, AKOS015847605, AG-F-50618, AM61970, MB02546, AK-86186, KB-28468, W6219, Benzenemethanamine, 3,5-bis(trifluoromethyl)-, hydrochloride (1:1), Benzenemethanamine,3,5-bis(trifluoromethyl)-, hydrochloride (9CI);3,5-Bis(trifluoromethyl)benzylaminehydrochloride;

Molecular Formula: C9H8ClF6NMolecular Weight: 279.609939 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: OKJHHGNJFKHGRZ-UHFFFAOYSA-N

• 3,5-Dichloroisatoicanhydride
IUPAC Name: 6,8-dichloro-1H-3,1-benzoxazine-2,4-dione | CAS Registry Number: 4693-00-9
Synonyms: ZINC02556300, CID78413, EINECS 225-149-0, 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione

Molecular Formula: C8H3Cl2NO3Molecular Weight: 232.020320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VOCGTJXVKKCXJH-UHFFFAOYSA-N

• 3-(4-Carboethoxy)phenyl propanal
IUPAC Name: ethyl 4-(3-oxopropyl)benzoate | CAS Registry Number: 151864-81-2
Synonyms: ethyl 4-(3-oxopropyl)benzoate, 3-(4-carboxyphenyl)-propionaldehyde ethyl ester, 3-(4'-Carboxyphenyl)-propionaldehyde ethyl ester, ZINC02381627, AC1MBVQ5, 4-carboethoxyphenyl propanal, 4-ethoxycarbonylhydrocinnamal, Jsp002920, CTK8B7215, MolPort-002-498-064, ANW-56739, SBB063889, AKOS015889746, AC-6538, RL01938, 4-(3-oxopropyl)benzoic acid ethyl ester, AK-33416, EN002539, H647, KB-51165

Molecular Formula: C12H14O3Molecular Weight: 206.237760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XDGGHWSPLSWRIX-UHFFFAOYSA-N

• 3-(t-Butyldimethylsiloxy)iodobenzene
IUPAC Name: tert-butyl-(3-iodophenoxy)-dimethylsilane | CAS Registry Number: 133910-12-0
Synonyms: tert-butyl-(3-iodophenoxy)-dimethylsilane, Benzene,1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-iodo-, ACMC-1BXWU, AC1MBVI4, SureCN3571948, CTK4B8861, 3-(t-butyldimethylsiloxy) iodobenzene, AKOS015911221, 3-(t-butyl dimethylsiloxy) iodobenzene, 3-(tert-butyldimethylsiloxy)iodobenzene, AG-D-69150, 3-(t-Butyl dimethylsiloxy) iodobenzene;, 3-(tert-butyl dimethylsiloxy) iodobenzene, FT-0643208, tert-butyl-(3-iodo-phenoxy)-dimethyl-silane, tert-butyl-(3-iodanylphenoxy)-dimethyl-silane, A806696, I14-39268

Molecular Formula: C12H19IOSiMolecular Weight: 334.268630 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AVZDGFRDSOPFCR-UHFFFAOYSA-N

• 3-Benzoyl-2-thiophenecarboxylic acid
IUPAC Name: 3-(benzoyl)thiophene-2-carboxylic acid | CAS Registry Number: 30006-03-2
Synonyms: NSC241104, AIDS128178, AIDS-128178, NSC 241104

Molecular Formula: C12H8O3SMolecular Weight: 232.255120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZKHLBCVFVQJMBT-UHFFFAOYSA-N

• 3-Cyclopenten-1-Amine, Hydrochloride (1:1)
IUPAC Name: cyclopent-3-en-1-amine;hydrochloride | CAS Registry Number: 91469-55-5
Synonyms: 1-Amino-3-cyclopentene hydrochloride, cyclopent-3-enamine hydrochloride, cyclopent-3-en-1-amine hydrochloride, 1-amino-3-cyclopentene hcl, 4-aminocyclopentenehydrochloride, 4-Aminocyclopentene hydrochloride, cyclopent-3-enylamine hydrochloride, SBB052044, sNxHHHaAYZzjP@, AC1MBTH2, SureCN1583470, 1-amino-3-cyclopentene, hcl, cyclopent-3-enylamine, chloride, CTK7D5970, MolPort-000-151-005, ACN-S001830, ACT10576, 1-amino-2-cyclopentene,hydrochloride, ANW-48023, 3-Cyclopenten-1-amine, hydrochloride

Molecular Formula: C5H10ClNMolecular Weight: 119.592600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: UUABBBRHNAYHLO-UHFFFAOYSA-N


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