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Shanghai Bao-Chemical Co., Ltd.

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Profile: Shanghai Bao-Chemical Co., Ltd. supplies organic, inorganic & biochemical reagents, high purity solvents, functional polymer materials and catalysts. Our products are widely used in environmental protection, water quality, food , quality control, health care, prevention medicines, bio-engineering, petroleum, chemical, electronics, electroplating and metallurgy. Plasticizer includes benzyl butyl phthalate, bis(2-ethylhexyl) adipate, dicyclohexyl phthalate, diethylene glycol diethyl ether, dimethyl phthalate, tris(2-ethylhexyl) phosphate, dibutyl maleate and diethyleneglycol diacetate. Peptide synthesis include aspartame, 1,1 '-carbonyldiimidazole, 1-hydroxy-7-azabenzotriazole solution, 2-ethoxy-1-ethoxycarbonyl-1 ,2-dihydroquinoline and 4 - (4,6-dimethoxy-1 ,3,5-triazin-2-yl)-4-methylmorpholinium chloride.

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• Aza-15-Crown-5
IUPAC Name: 6,9,12,15-tetraoxa-3-azacyclopentadecane | CAS Registry Number: 66943-05-3
Synonyms: 1-Aza-15-crown-5, Oprea1_453995, 364096_ALDRICH, STOCK3S-05383, EINECS 266-523-3, CHEBI:128434, 1,4,7,10-Tetraoxa-13-azacyclopentadecane, CID544820, 1,4,7,10-Tetraoxa-13-aza-cyclopentadecane

Molecular Formula: C10H21NO4Molecular Weight: 219.278040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BJUOQSZSDIHZNP-UHFFFAOYSA-N

• B 581
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylbutyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid | CAS Registry Number: 149759-96-6
Synonyms: CBiol_001875, BSPBio_001466, KBioGR_000186, KBioSS_000186, B2559_SIGMA, KBio2_000186, KBio2_002754, KBio2_005322, KBio3_000371, KBio3_000372, CHEBI:246811, MolPort-003-940-436, Bio1_000161, Bio1_000650, Bio1_001139, Bio2_000186, Bio2_000666, CID132887, B581, IDI1_033936

Molecular Formula: C22H38N4O3S2Molecular Weight: 470.692120 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 6

InChIKey: QISLMXIYRQCLIR-FUMNGEBKSA-N

• BnO-PEG5-OH
IUPAC Name: 2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol | CAS Registry Number: 57671-28-0
Synonyms: Pentaethylene Glycol Monobenzyl Ether, 1-Phenyl-2,5,8,11,14-pentaoxahexadecan-16-ol, SureCN606328, AGN-PC-00N14D, ACMC-1B134, CTK5A7250, Pentaethyleneglycol monobenzyl ether;, ANW-32770, AKOS015891358, AG-G-03696, RL04176, AK142233, P1435, 2,5,8,11,14-Pentaoxahexadecan-16-ol,1-phenyl-, I01-9650, 2,5,8,11,14-Pentaoxahexadecan-16-ol, 1-phenyl-, 2-[2-[2-[2-[2-(Benzyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Molecular Formula: C17H28O6Molecular Weight: 328.400620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: UMUSOTNGYAALST-UHFFFAOYSA-N

• cis-4-(Hydroxymethyl)cyclohexanecarboxylic acid
IUPAC Name: 4-(hydroxymethyl)cyclohexane-1-carboxylic acid | CAS Registry Number: 73094-35-6
Synonyms: 4-(Hydroxymethyl)cyclohexanecarboxylic acid, 13380-84-2, cis-4-(Hydroxymethyl)cyclohexanecarboxylic Acid, trans-4-(Hydroxymethyl)cyclohexanecarboxylic Acid, 66185-74-8, AG-G-88629, 4-(hydroxymethyl)cyclohexane-1-carboxylic acid, Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, ACMC-209nty, ACMC-209opc, ACMC-1B8BJ, SureCN612571, SureCN662876, SureCN1722482, AC1L499C, 4-Carboxy-1-cyclohexanemethanol, CTK0H6878, CTK1I0709, CTK2H5958, MolPort-002-680-331

Molecular Formula: C8H14O3Molecular Weight: 158.194960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VQMIUUBKKPIDBN-UHFFFAOYSA-N

• D-(+)-Malic Acid Diethyl Ester
IUPAC Name: diethyl (2R)-2-hydroxybutanedioate | CAS Registry Number: 7554-28-1
Synonyms: Diethyl D-(+)-Malate, Diethyl D-Malate, Diethyl (R)-malate, Diethyl (2R)-Malate, AC1LVZO1, D-Malic Acid Diethyl Ester, Diethyl (R)-2-Hydroxysuccinate, CTK8B3300, D-(+)-Apple Acid Diethyl Ester, diethyl (2R)-2-hydroxybutanedioate, ANW-42232, ZINC02036910, Hydroxy-Butanedioic Acid Diethyl Ester, AG-H-01091, KB-50395, (R)-Hydroxy-butanedioic Acid Diethyl Ester, AI3-01727, FT-0666770, M1351, Butanedioic acid, hydroxy-, diethyl ester, (R)-

Molecular Formula: C8H14O5Molecular Weight: 190.193760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: VKNUORWMCINMRB-ZCFIWIBFSA-N

• D-alpha-Aminoadipic acid
IUPAC Name: (2R)-2-aminohexanedioic acid | CAS Registry Number: 7620-28-2
Synonyms: D-2-aminoadipic acid, D-Homoglutamic acid, 2-Aminohexanedioic acid, alpha-Aminoadipate, D-, Lopac-A-7275, Hexanedioic acid, 2-amino-, (R)-2-Aminohexanedioic acid, A7400_SIGMA, (2R)-2-aminohexanedioic acid, 285048_ALDRICH, 06654_FLUKA, CHEBI:37025, NCGC00015087-01, 2-Aminohexanedioic acid (-)- and (+)-, Hexanedioic acid, 2-amino-, (-)- and (+)-, 542-32-5, InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11

Molecular Formula: C6H11NO4Molecular Weight: 161.155840 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: OYIFNHCXNCRBQI-SCSAIBSYSA-N

• Diethy 4-Bromobenzylphosphonate
IUPAC Name: 1-bromo-4-(diethoxyphosphorylmethyl)benzene | CAS Registry Number: 38186-51-5
Synonyms: (4-Bromobenzyl)phosphonic Acid Diethyl Ester, Diethyl (4-Bromobenzyl)phosphonate, ACMC-209iyf, CTK3J4905, ANW-28837, AKOS015835594, D3688

Molecular Formula: C11H16BrO3PMolecular Weight: 307.120702 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IPTXXSZUISGKCJ-UHFFFAOYSA-N

• Diethyl (4-Cyanobenzyl)phosphonate
IUPAC Name: 4-(diethoxyphosphorylmethyl)benzonitrile | CAS Registry Number: 1552-41-6
Synonyms: NSC48805, CID241438, 4-(Diethylphosphonomethyl)benzonitrile, (4-Cyanobenzyl)phosphonic Acid Diethyl Ester, D3323

Molecular Formula: C12H16NO3PMolecular Weight: 253.234101 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MFXWOYIWKNJHPC-UHFFFAOYSA-N

• Diisopropyl sulfate
IUPAC Name: dipropan-2-yl sulfate | CAS Registry Number: 2973-10-6
Synonyms: Isopropyl sulfate, Di-isopropylsulfate, Di-isopropylsulphate, Diisopropyl sulphate, Di-isopropylsulfat, DIPS, DIISOPROPYL SULFATE, Diisopropyl tetraoxosulfate, Di-isopropylsulfat [German], Sulfuric acid, diisopropyl ester, EINECS 221-011-9, CID18096, BRN 1705798, Sulfuric acid, bis(1-methylethyl) ester, LS-148209, D2954, 4-01-00-01474 (Beilstein Handbook Reference)

Molecular Formula: C6H14O4SMolecular Weight: 182.237960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: HWBLTYHIEYOAOL-UHFFFAOYSA-N

• Dimethanooctahydronaphthalene
Synonyms: CID136844, LS-181712, T1817, Tetracyclo[6.2.1.1(3,6).0(2,7)]dodec-9-ene, 1,4:5,8-Dimethano-naphthalene,1,2,4,4a,8,8,8a-octahydro-, Tetracyclo[6.2.1.1(3,6).0(2,7)]dodeca-4-ene, 1,2,3,4,4a,5,8,8a-Octahydro-1,4:5,8-dimethanonaphthalene, 1.4:5.8-dimethano-1,2,3,4,4a,5,8,8a-octahydronaphthalene, 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-, (1alpha,4alpha,5beta,8beta)-, 1,4:5,8-Dimethanonaphthalene, (1 alpha,4 alpha,4a beta,5 alpha,8 alpha,8a beta) 1,2,3,4,4a,5,8,8a-octahydro-, 1,4:5,8-Dimethanonaphthalene, (1alpha,4alpha,4abeta,5alpha,8alpha,8abeta) 1,2,3,4,4a,5,8,8a-octahydro-, 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-, (1.alpha.,4.alpha.,4a.alpha.,5.beta.,8.beta.,8a.alpha.)-, 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-, (1.alpha.,4.alpha.,5.beta.,8.beta.)-, 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)-, 1076-12-6, 15914-93-9, 36012-52-9, TCD

Molecular Formula: C12H16Molecular Weight: 160.255440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: XBFJAVXCNXDMBH-UHFFFAOYSA-N

• Diphenylammonium trifluoromethanesulfonate
IUPAC Name: diphenylazanium;trifluoromethanesulfonate | CAS Registry Number: 164411-06-7
Synonyms: Diphenylammonium Trifluoromethanesulfonate, DPAT, ACMC-209dr4, AGN-PC-004EVN, CTK0G9324, CTK8H1751, ANW-22094, AKOS015853059, AG-E-14222, diphenylazanium;trifluoromethanesulfonate, RL02112, AB1011427, D3683, I14-90664

Molecular Formula: C13H12F3NO3SMolecular Weight: 319.299490 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: MGEGQAUINMTPGX-UHFFFAOYSA-N

• Diphenyliodonium-2-Carboxylate Monohydrate
IUPAC Name: 2-phenyliodoniobenzoate | CAS Registry Number: 1488-42-2
Synonyms: Diphenyliodonium-2-carboxylate, NSC 86229, (2-Carboxylatophenyl)phenyliodonium, CID73883, NSC86229, EINECS 216-070-2, DIPHENYL IODONIUM-2-CARBOXYLATE, AI3-62156, Iodonium, (2-carboxyphenyl)phenyl-, inner salt, Iodonium, (2-carboxyphenyl)phenyl-, hydroxide, inner salt, Iodonium, (o-carboxyphenyl)phenyl-, hydroxide, inner salt, 109545-72-4

Molecular Formula: C13H9IO2Molecular Weight: 324.113830 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LUGVQQXOGHCZNN-UHFFFAOYSA-N

• DL-2-(2-Chlorophenyl)glycine
IUPAC Name: 2-amino-2-(2-chlorophenyl)acetic acid | CAS Registry Number: 88744-36-9
Synonyms: ()-2-Chlorophenylglycine, 73187_FLUKA, NSC154921, STK138986, ()-alpha-Amino-2-chlorophenylacetic acid, TL8000917

Molecular Formula: C8H8ClNO2Molecular Weight: 185.607620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LMIZLNPFTRQPSF-UHFFFAOYSA-N

• Ethyl 2-Methoxy-6-Methylbenzoate
IUPAC Name: ethyl 2-methoxy-6-methylbenzoate | CAS Registry Number: 6520-83-8
Synonyms: Ethyl 2-methoxy-6-methylbenzoate, 2-Methoxy-6-methylbenzoic Acid Ethyl Ester, AC1LBY8O, ACMC-1B9LH, SureCN282595, AC1Q32AU, CTK5C2375, MolPort-001-797-309, ACT00620, ANW-35005, ZINC00393055, AKOS000297427, AG-G-45318, LS10745, AK-80357, EN002066, KB-24957, 2-Methoxy-6-methyl-benzoic acid ethyl ester, BB 0244702, FT-0693311

Molecular Formula: C11H14O3Molecular Weight: 194.227060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GQLSLEBNODXANJ-UHFFFAOYSA-N

• Ethyl 3-bromo-2-(bromomethyl)propionate
IUPAC Name: ethyl 3-bromo-2-(bromomethyl)propanoate | CAS Registry Number: 58539-11-0
Synonyms: 454125_ALDRICH, Ethyl .beta.,.beta.-dibromoisobutyrate, CID310617, NSC215249, 3-Bromo-2-bromomethylpropionic acid, ethyl ester

Molecular Formula: C6H10Br2O2Molecular Weight: 273.950400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GKSCTYSHDIGNGC-UHFFFAOYSA-N

• Ethyl 3-Hydroxy Hexanoate
IUPAC Name: ethyl (3S)-3-hydroxyhexanoate | CAS Registry Number: 2305-25-1
Synonyms: Ethyl (S)-3-hydroxyhexanoate, ethyl (3S)-3-hydroxyhexanoate, CHEBI:16036, ETHYL-S-3-HYDROXYHEXANOATE, CID440151, ZINC01529769, 3-HYDROXYHEXANOIC ACID ETHYL ESTER, C03865

Molecular Formula: C8H16O3Molecular Weight: 160.210840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LYRIITRHDCNUHV-ZETCQYMHSA-N

• Hexaethylene glycol monomethyl ether
IUPAC Name: 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol | CAS Registry Number: 23601-40-3
Synonyms: CHEBI:44752, CID90207, EINECS 245-775-8, 2,5,8,11,14,17-Hexaoxanonadecan-19-ol, 3,6,9,12,15,18-Hexaoxanonadecan-1-ol, H0808, P15, 15P, EGC, PE4, PEU

Molecular Formula: C13H28O7Molecular Weight: 296.357220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: FHHGCKHKTAJLOM-UHFFFAOYSA-N

• Mono-6-O-(p-Toluenesulfonyl)-Alpha-Cyclodextrin
Synonyms: Mono-6-O-(p-toluenesulfonyl)-alpha-cyclodextrin, CTK8B4109, ANW-43911, AG-F-10210, M1644, alpha-Cyclodextrin,6-p-toluenesulfonate (8CI);6-O-Tosyl-alpha-cyclodextrin;Mono-6-O-(p-toluenesulfonyl)-alpha-cyclodextrin;

Molecular Formula: C43H66O32SMolecular Weight: 1127.029940 [g/mol]
H-Bond Donor: 17H-Bond Acceptor: 32

InChIKey: ARQITQMHQNGIEE-FJFUKXEISA-N

• N,N-Bis(4-aminophenyl)benzene-1,4-diamine
IUPAC Name: 1-N,1-N-bis(4-aminophenyl)benzene-1,4-diamine | CAS Registry Number: 5981-09-9
Synonyms: AIDS019372, 4,4',4''-Triaminotriphenylamine, AIDS-019372, CID80083, EINECS 227-791-7, N,N-Bis(4-aminophenyl)-1,4-benzenediamine, 1,4-Benzenediamine, N,N-bis(4-aminophenyl)-

Molecular Formula: C18H18N4Molecular Weight: 290.362320 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: SNLFYGIUTYKKOE-UHFFFAOYSA-N

• N-Benzyl-2-chloroacetamide
IUPAC Name: N-benzyl-2-chloroacetamide | CAS Registry Number: 2564-06-9
Synonyms: N-Benzylchloroacetamide, Enamine_005418, N-(Chloroacetyl)benzylamine, Acetamide, N-benzyl-2-chloro-, 2-Chloro-N-benzylacetamide, CCRIS 1828, 531995_ALDRICH, 2-Chloro-N-(phenylmethyl)acetamide, NSC60743, Acetamide, 2-chloro-N-(phenylmethyl)-, MolPort-000-649-543, NSC 60743, ALBB-002313, CID96233, BRN 2091813, STK386819, ZINC00028344, AI3-23530, LS-8225, 4-12-00-02230 (Beilstein Handbook Reference)

Molecular Formula: C9H10ClNOMolecular Weight: 183.634800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SRAXAXHQMCQHSH-UHFFFAOYSA-N

• Piperonyl Acetate
IUPAC Name: 1,3-benzodioxol-5-ylmethyl acetate | CAS Registry Number: 326-61-4
Synonyms: PIPERONYL ACETATE, Heliotropyl acetate, Heliotropin acetate, Piperonyl alcohol, acetate, PIPERONYLACETATE, FEMA No. 2912, CCRIS 6269, 3,4-Methylenedioxybenzyl acetate, W291218_ALDRICH, 1,3-Benzodioxole-5-methanol, acetate, EINECS 206-312-5, NSC 406725, (3,4-Methylenedioxy)benzyl acetate, 1,3-benzodioxol-5-ylmethyl acetate, BRN 0384173, NSC406725, WLN: T56 BO DO CHJ G1OV1, Acetic acid, (3,4-methylenedioxy)benzyl ester, AI3-05703, LS-1199

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PFWYHTORQZAGCA-UHFFFAOYSA-N

• Pyridine-4-boronic Acid pinacol ester
IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine | CAS Registry Number: 181219-01-2
Synonyms: 578770_ALDRICH, BM086, 4-Pyridylboronic acid pinacol ester, 4-Pyridineboronic acid pinacol ester, Pyridine-4-boronic acid pinacol ester, Pyridine-4-boronic acid, pinacol ester, ST5405613, TL8001450, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Molecular Formula: C11H16BNO2Molecular Weight: 205.061240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NLTIETZTDSJANS-UHFFFAOYSA-N

• Safflower-yellow
IUPAC Name: (2S,6Z)-4-[(Z)-[(5R)-2,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4,6-dioxo-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-2-en-1-ylidene]methyl]-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione | CAS Registry Number: 36338-96-2
Synonyms: Carthamine, Carthamin, EINECS 252-981-1, CID11968069, 4-Cyclohexene-1,3-dione, 6-beta-D-glucopyranosyl-2-((3-beta-D-glucopyranosyl-2,3,4-trihydroxy-5-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-6-oxo-1,4-cyclohexadien-1-yl)methylene)-5,6-dihydroxy-4-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-

Molecular Formula: C43H42O22Molecular Weight: 910.780380 [g/mol]
H-Bond Donor: 15H-Bond Acceptor: 22

InChIKey: UZPQVEVQJJKELH-HDOBETQRSA-N

• Tetrafluoroisophthalic acid
IUPAC Name: 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylic acid | CAS Registry Number: 1551-39-9
Synonyms: 337668_ALDRICH, 2,4,5,6-Tetrafluoroisophthalic acid, ALBB-006592, CID297552, NSC168733, ST5307073

Molecular Formula: C8H2F4O4Molecular Weight: 238.092693 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: PGRIMKUYGUHAKH-UHFFFAOYSA-N

• Trestolone
IUPAC Name: 17-hydroxy-7,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one | CAS Registry Number: 3764-87-2
Synonyms: 19-Nor-7.alpha.-methyltestosterone, 7.alpha.-Methyl-19-nortestosterone, CID285366, NSC142229, 7-ALPHA-METHYL-19-NORTESTOSTERONE, Estr-4-en-3-one, 17.beta.-hydroxy-7.alpha.-methyl-, Estr-4-en-3-one, 17-hydroxy-7-methyl-, (7.alpha.,17.beta.)-

Molecular Formula: C19H28O2Molecular Weight: 288.424420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YSGQGNQWBLYHPE-UHFFFAOYSA-N

• Trimethyl(4-pyridyl)tin
IUPAC Name: trimethyl(pyridin-4-yl)stannane | CAS Registry Number: 59020-06-3
Synonyms: 4-Trimethylstannylpyridine, SureCN624761, ACMC-1B13O, CTK1G7911, AB1609, ANW-33119, AKOS015840044, AG-G-09522, KB-106925, I14-108107

Molecular Formula: C8H13NSnMolecular Weight: 241.905520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YCBWXJZXFUKDPU-UHFFFAOYSA-N

• Trimethylsilylmethyl azide
IUPAC Name: diazonio(trimethylsilylmethyl)azanide | CAS Registry Number: 87576-94-1
Synonyms: Azidomethyltrimethylsilane, CCRIS 8030, CID150751, EM 5519, T1184

Molecular Formula: C4H11N3SiMolecular Weight: 129.235740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HKBUFTCADGLKAS-UHFFFAOYSA-N

• 2-Fluoro-Isonicotinic Acid
IUPAC Name: 2-fluoropyridine-4-carboxylic acid | CAS Registry Number: 402-65-3
Synonyms: Ambap5464, 2-Fluoroisonicotinic acid, 593885_ALDRICH, NSC402973, 2-Fluoropyridine-4-carboxylic acid, CID345360, TL8002923

Molecular Formula: C6H4FNO2Molecular Weight: 141.099863 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JMPFWDWYGOWUFP-UHFFFAOYSA-N

• 1-Piperidinepropionitrile
IUPAC Name: 3-piperidin-1-ylpropanenitrile | CAS Registry Number: 3088-41-3
Synonyms: 1-Piperidinepropanenitrile, beta-Piperidinopropionitrile, 3-Piperidinopropionitrile, 1-PIPERIDINEPROPIONITRILE, 3-(1-Piperidine)propionitrile, 3-piperidin-1-ylpropanenitrile, EINECS 221-417-6, BRN 0107858, 3-(piperidin-1-yl)propanenitrile, ALBB-004597, CID18338, STK397830, AI3-33248, BBV-070424, LS-116144, 5-20-03-00047 (Beilstein Handbook Reference), InChI=1/C8H14N2/c9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H, 4734-41-2

Molecular Formula: C8H14N2Molecular Weight: 138.210160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YZICFVIUVMCCOC-UHFFFAOYSA-N

• 1-Propanesulfonic Acid
IUPAC Name: propane-1-sulfonic acid | CAS Registry Number: 5284-66-2
Synonyms: 1-Propanesulfonic acid, Propanesulfonate, Propylsulfonic acid, Propanesulfonic acid, Propanesulphonic acid, Ammonium propanesulfonate, propane-1-sulfonic acid, NSC87882, NCIStruc1_001874, NCIStruc2_000257, 04058_FLUKA, MolPort-003-925-377, AIDS125891, AIDS-125891, CID78938, NCI87882, EINECS 226-114-2, NCGC00013918, NSC 87882, NSC-87882

Molecular Formula: C3H8O3SMolecular Weight: 124.158820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KCXFHTAICRTXLI-UHFFFAOYSA-N

• 5-Propyl-1,3-dithiolo[4,5-d]-1,3-dithiole-2-thione
IUPAC Name: 2-propyl-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione | CAS Registry Number: 202126-48-5
Synonyms: 5-Propyl-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione, ACMC-1CBW2, CTK4E3571, ANW-23953, AKOS015839622, AG-E-47981, KB-198236, P1635, [1,3]Dithiolo[4,5-d]-1,3-dithiole-2-thione,propyl-, 5-propyl-1,3-dithiolo[4,5-d]-1,3-dithiole-2-thione, I14-105834, [1,3]Dithiolo[4,5-d]-1,3-dithiolethione,propyl- (9CI);

Molecular Formula: C7H8S5Molecular Weight: 252.463420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: QVGTUNLOIXSBRJ-UHFFFAOYSA-N

• 3-Methyl-4-Oxopentanoic Acid
IUPAC Name: 3-methyl-4-oxopentanoic acid | CAS Registry Number: 6628-79-1
Synonyms: 3-Acetylbutyric Acid, 3-Methyl-4-oxopentanoic acid, beta-Methyllevulinic Acid, Pentanoic acid, 3-methyl-4-oxo-, NSC59715, CID246523, M1057

Molecular Formula: C6H10O3Molecular Weight: 130.141800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NFIWUVRBASXMGK-UHFFFAOYSA-N

• 2,5-Difluoroanisole
IUPAC Name: 1,4-difluoro-2-methoxybenzene | CAS Registry Number: 75626-17-4
Synonyms: 1,4-Difluoro-2-methoxybenzene, ZINC02584353, JRD-0899, CID2724989

Molecular Formula: C7H6F2OMolecular Weight: 144.118746 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HUDMAQLYMUKZOZ-UHFFFAOYSA-N

• 3-Chloropyrazin-2-amine
IUPAC Name: 3-chloropyrazin-2-amine | CAS Registry Number: 6863-73-6
Synonyms: 3-chloropyrazin-2-amine, Pyrazinamine, 3-chloro-, 2-Amino-3-chloropyrazine, Pyrazine, 2-amino-3-chloro-, ALBB-008741, NSC123676, SBB006510, ZINC01101989, TL8007324

Molecular Formula: C4H4ClN3Molecular Weight: 129.547660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AEVSSZHXGJAPIE-UHFFFAOYSA-N

• 2-Ethoxycarbonylphenylboronic acid pinacol ester
IUPAC Name: ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate | CAS Registry Number: 269409-99-6
Synonyms: Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, 2-Carboethoxyphenylboronic acid pinacol ester, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid ethyl ester, AC1MCNQ4, SureCN11662, 570168_ALDRICH, CTK6F6722, MolPort-000-141-157, ANW-42252, AKOS015894406, AB15518, AG-C-10438, OR10987, RP29744, AK-84205, KB-23659, AB1007994, FT-0644220, A818722, I04-9027

Molecular Formula: C15H21BO4Molecular Weight: 276.135840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RFBZWPFBCXBBJS-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

• 2,2'-Bithiophene-5,5'-Diboronic Acid Bis(pinacol) Ester
IUPAC Name: 4,4,5,5-tetramethyl-2-[5-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3,2-dioxaborolane | CAS Registry Number: 239075-02-6
Synonyms: 5,5'-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,2'-bithiophene, 2,2'-Bithiophene-5,5'-diboronic acid bis(pinacol) ester, 2,2'-Bithiophene-5,5'-diboronic acid pinacol ester, ACMC-209g6z, SureCN390494, 647020_ALDRICH, CTK8B1276, MolPort-003-938-227, ANW-25257, AKOS015960322, AB29821, AK-85381, KB-16307, B3363, C-1729, I04-12736, 2,5'-BIS(BITHIOPHENE)BORONIC ACID PINACOL ESTER, 2,2'-BITHIOPHENE-5,5'-DIBORONIC ACID BIS(PINACOL), 2,2 inverted exclamation marka-Bithiophene-5,5 inverted exclamation marka-diboronic acid bis(pinacol) ester, 4,4,5,5-TETRAMETHYL-2-(5-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHEN-2-YL)THIOPHEN-2-YL)-1,3,2-DIOXABOROLANE

Molecular Formula: C20H28B2O4S2Molecular Weight: 418.185920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: XWWXVHGWYCXJCJ-UHFFFAOYSA-N

• 2,4-Dichloro-5-fluorobenzoyl chloride
IUPAC Name: 2,4-dichloro-5-fluorobenzoyl chloride | CAS Registry Number: 86393-34-2
Synonyms: 346101_ALDRICH, ZINC02545359, JRD-0736, CID2736821

Molecular Formula: C7H2Cl3FOMolecular Weight: 227.447583 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RPZXUSJCSDQNTE-UHFFFAOYSA-N

• (2-Methoxyethoxymethyl)triethylammonium chloride
IUPAC Name: triethyl(2-methoxyethoxymethyl)azanium;chloride | CAS Registry Number: 60043-43-8
Synonyms: (2-Methoxyethoxymethyl)triethylammonium Chloride, ACMC-209mho, AGN-PC-00OIKD, CTK8B1997, ANW-33418, AKOS015833229, AG-G-14574, M0681, Triethyl(2-methoxyethoxymethyl)ammonium Chloride, I14-94164, Ethanaminium, N,N-diethyl-N-[(2-methoxyethoxy)methyl]-, chloride

Molecular Formula: C10H24ClNO2Molecular Weight: 225.756060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SOEVDEHHMZNQOW-UHFFFAOYSA-M

• 2,6-Dichloro-4-trifluoromethoxyaniline
IUPAC Name: 2,6-dichloro-4-(trifluoromethoxy)aniline | CAS Registry Number: 99479-66-0
Synonyms: 429899_ALDRICH, JRD-0738, SBB003181, ZINC00056967, 2,6-Dichloro-4-(trifluoromethoxy)aniline, InChI=1/C7H4Cl2F3NO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H

Molecular Formula: C7H4Cl2F3NOMolecular Weight: 246.013970 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: FKISQWQHZULEEG-UHFFFAOYSA-N

• 2-Hydroxy-4,6-dimethylpyrimidine hydrochloride
IUPAC Name: 4,6-dimethyl-1H-pyrimidin-2-one hydrochloride | CAS Registry Number: 34289-60-6
Synonyms: 339962_ALDRICH, NSC2030, SBB003958, 4,6-Dimethyl-2-hydroxypyrimidine hydrochloride, 4,6-DIMETHYL-2-PYRIMIDINOL, MONOHYDROCHLORIDE

Molecular Formula: C6H9ClN2OMolecular Weight: 160.601460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: IFXXETYYSLJRNF-UHFFFAOYSA-N

• 5-Phenylpentanoic Acid Methyl Ester
IUPAC Name: methyl 5-phenylpentanoate | CAS Registry Number: 20620-59-1
Synonyms: Methyl 5-phenylvalerate, Benzenepentanoic acid, methyl ester, 5-Phenylvaleric Acid Methyl Ester, NSC96991, Valeric acid, 5-phenyl-, methyl ester, CID262942, ZINC01627112, P1324

Molecular Formula: C12H16O2Molecular Weight: 192.254240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BNNWLDUOVGYRLY-UHFFFAOYSA-N

• 1,5-Dioxepan-2-One
IUPAC Name: 1,4-dioxepan-5-one | CAS Registry Number: 35438-57-4
Synonyms: 1,5-Dioxepan-2-one, 1,4-Dioxepan-2-one, 1,5-Dxo, CID193214, D3707

Molecular Formula: C5H8O3Molecular Weight: 116.115220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AOLNDUQWRUPYGE-UHFFFAOYSA-N

• 3-Triethoxysilylpropyltrimethylammonium chloride
IUPAC Name: trimethyl(3-triethoxysilylpropyl)azanium chloride | CAS Registry Number: 84901-27-9
Synonyms: EINECS 284-463-6, T2246, Triethoxysilylpropyltrimethylammonium chloride, Trimethyl[3-(triethoxysilyl)propyl]ammonium Chloride

Molecular Formula: C12H30ClNO3SiMolecular Weight: 299.910000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JMCRETWEZLOFQT-UHFFFAOYSA-M

• 2,4-Dihydroxy-5-ethylpyrimidine
IUPAC Name: 5-ethyl-1H-pyrimidine-2,4-dione | CAS Registry Number: 4212-49-1
Synonyms: 5-Ethyluracil, Homothymine, Uracil, 5-ethyl-, E6886_SIGMA, AIDS081814, 2,4(1H,3H)-Pyrimidinedione, 5-ethyl-, AIDS-081814, ZINC00402892, TL8003009

Molecular Formula: C6H8N2O2Molecular Weight: 140.139920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: RHIULBJJKFDJPR-UHFFFAOYSA-N

• 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one
IUPAC Name: 3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-one | CAS Registry Number: 69225-59-8
Synonyms: Maybridge1_004236, 215570_ALDRICH, EINECS 273-918-4, ZINC00164382, TL800742075, 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one, 1,5-Dioxaspiro[5.5]undecan-9-one, 3,3-dimethyl-, 1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal), 1,4-Cyclohexanedione mono-2,2-dimethyl-trimethylene ketal

Molecular Formula: C11H18O3Molecular Weight: 198.258820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: COKVDTKAWIFNTH-UHFFFAOYSA-N

• 4-Chlorophenethylamine
IUPAC Name: 2-(4-chlorophenyl)ethanamine | CAS Registry Number: 156-41-2
Synonyms: p-Chlorophenethylamine, 4-Chlorobenzeneethanamine, 2-(4-Chlorophenyl)ethylamine, NCIOpen2_001559, C65408_ALDRICH, 2-(p-Chlorophenyl)-ethylamine, beta-(p-Chlorophenyl)ethylamine, CID67430, EINECS 205-853-4, BBR-007379

Molecular Formula: C8H10ClNMolecular Weight: 155.624700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SRXFXCKTIGELTI-UHFFFAOYSA-N

• 4,10-Dioxatricyclo[5.2.1.0(2,6)]decan-8-en-3-one
Synonyms: NSC323756, CID331417, D3552, 4,7-Epoxy-3a,4,7,7a-tetrahydroisobenzofuran-1(3H)-one

Molecular Formula: C8H8O3Molecular Weight: 152.147320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KIAQKKYOUVIGII-UHFFFAOYSA-N

• 2,7-dibromonaphthalene
IUPAC Name: 2,7-dibromonaphthalene | CAS Registry Number: 58556-75-5
Synonyms: 2,7-Dibromonaphthalene, AG-G-07300, ZINC00086263, AC1LCDSW, 2,7-Dibromonaphthalene;, ACMC-209m5e, SureCN2051640, Naphthalene, 2,7-dibromo-, KSC490O3J, CTK3J0734, MolPort-002-915-628, ACT04098, ANW-32976, AKOS015835935, AC-5227, RP29935, RP29937, AK-30563, BR-30563, KB-18494

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

InChIKey: ODJZWBLNJKNOJK-UHFFFAOYSA-N

• 2,5-Dibromothieno[3,2-B]thiophene
IUPAC Name: 2,5-dibromothieno[3,2-b]thiophene | CAS Registry Number: 25121-87-3
Synonyms: 2,5-Dibromothieno[3,2-b]thiophene, 2,5-DIBROMO-THIENO[3,2-B]THIOPHENE, AG-E-76019, AC1MTACT, ACMC-209gh9, SureCN144144, KSC496M9L, THI041, CTK3J6695, MolPort-003-944-319, ACT08618, ANW-25627, ZINC02518925, AKOS015898694, 2,5-dibromo-thieno[3,2-b]thiophene;, OR18024, QC-3687, RP06799, Thieno[3,2-b]thiophene, 2,5-dibromo-, AK-39589

Molecular Formula: C6H2Br2S2Molecular Weight: 298.018080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: APDAUBNBDJUQGW-UHFFFAOYSA-N


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