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• 1,3-Dihydroisobenzofuran
IUPAC Name: 1,3-dihydro-2-benzofuran | CAS Registry Number: 496-14-0
Synonyms: Isocoumaran, PHTHALAN, 2-Oxaindan, o-Xylylene oxide, 1,3-Dihydro isobenzofuran, Isobenzofuran, 1,3-dihydro-, 1,3-Dihydro-2-benzofuran, CCRIS 1557, 176877_ALDRICH, EINECS 207-815-2, CID10327, ZINC02040452, LS-188140, InChI=1/C8H8O/c1-2-4-8-6-9-5-7(8)3-1/h1-4H,5-6H

Molecular Formula: C8H8OMolecular Weight: 120.148520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SFLGSKRGOWRGBR-UHFFFAOYSA-N

• (4r-Trans)-2,2-Dimethyl-1,3-Dioxane-4,5-Dimethanol
IUPAC Name: [(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol | CAS Registry Number: 73346-74-4
Synonyms: 241415_ALDRICH, 59535_FLUKA, ZINC00281675, (−)-2,3-O-Isopropylidene-D-threitol, (4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol, (4R,5R)-4,5-Bis(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane, (4R,5R)-(−)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol

Molecular Formula: C7H14O4Molecular Weight: 162.183660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: INVRLGIKFANLFP-PHDIDXHHSA-N

• 1-(2,6-Dimethylphenoxy)Acetone
IUPAC Name: 1-(2,6-dimethylphenoxy)propan-2-one | CAS Registry Number: 53012-41-2
Synonyms: 1-(2,6-Dimethylphenoxy)acetone, MEXILETINE, M(DESAMINO-OXO-), EINECS 258-292-2

Molecular Formula: C11H14O2Molecular Weight: 178.227660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XDJULAUHYAJQBU-UHFFFAOYSA-N

• 1,4-diacrylylpiperazine
IUPAC Name: 1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one | CAS Registry Number: 6342-17-2
Synonyms: Diacrylylpiperazine, Piperazine diacrylamide, 1,4-Di(acryloyl)piperazine, 1,4-Bis(acryloyl)piperazine, D1538_SIGMA, N,N'-Bis(acryloyl)piperazine, 542350_ALDRICH, IFLab1_003395, NSC49404, CID193422, NSC133364, ZINC01681330, Piperazine, 1,4-bis(1-oxo-2-propenyl)-, LS-123956, T0504-4993, BaP, PdA

Molecular Formula: C10H14N2O2Molecular Weight: 194.230360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YERHJBPPDGHCRJ-UHFFFAOYSA-N

• 4-Hydroxy-3,5-dimethylbenzonitrile
IUPAC Name: 4-hydroxy-3,5-dimethylbenzonitrile | CAS Registry Number: 4198-90-7
Synonyms: 3,5-Dimethyl-4-hydroxybenzonitrile, BRN 2574734, SBB005819, ZINC00162656, FR-2364, LS-38702, BENZONITRILE, 3,5-DIMETHYL-4-HYDROXY-, TL80073506, 4-10-00-00681 (Beilstein Handbook Reference), 876-15-3

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WFYGXOWFEIOHCZ-UHFFFAOYSA-N

• 2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline
IUPAC Name: 2,9-dimethyl-4,7-di(phenyl)-1,10-phenanthroline | CAS Registry Number: 4733-39-5
Synonyms: Bathocuproine, Bathocuproin, nchembio813-comp5, nchembio.109-comp6, Oprea1_173365, bathocuproine sulfite (1:2), 140910_ALDRICH, EINECS 225-240-5, NSC 89195, NSC89195, SBB008863, ZINC08078162, 1,10-Phenanthroline, 2,9-dimethyl-4,7-diphenyl-, LS-167505, EU-0070645, B-0380, C002478, 2,9-Dimethyl-4,7-diphenyl-1,10-phenantrolinedisulfonic acid disodium salt

Molecular Formula: C26H20N2Molecular Weight: 360.450400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: STTGYIUESPWXOW-UHFFFAOYSA-N

• 3-Acetoxy-5-Bromoindole
IUPAC Name: (5-bromo-1H-indol-3-yl) acetate | CAS Registry Number: 17357-14-1
Synonyms: 5-Bromoindoxyl acetate, O-Acetyl-5-bromoindoxyl, 3-Acetoxy-5-bromoindole, 374210_ALDRICH, 5-Bromo-1H-indol-3-yl acetate, EINECS 241-387-8, ZINC00389818, ST5319571, 1H-Indol-3-ol, 5-bromo-, acetate (ester), B-8820

Molecular Formula: C10H8BrNO2Molecular Weight: 254.080020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KFTGECHXNQBTNZ-UHFFFAOYSA-N

• 1-Amino-1,2,3,4-Tetrahydroquinoline Methanesulfonate
• (4-Aminobutyl)Carbamic Acid E-Tert-Butyl Ester Hydrochloride
IUPAC Name: tert-butyl N-(4-aminobutyl)carbamate;hydrochloride | CAS Registry Number: 33545-98-1
Synonyms: Boc-DAB*HCl, N-BOC-1,4-DIAMINOBUTANE-HCl, CTK8B3782, MolPort-003-981-815, ANW-43162, SBB070572, AKOS007930818, n-boc-1,4-diaminobutane hydrochloride, AG-F-13326, AK-38378, AB1011914, KB-144402, FT-0084209, B-1813, TERT-BUTYL (4-AMINOBUTYL)CARBAMATE HCL, tert-Butyl (4-aminobutyl)carbamate hydrochloride, A821829, I14-5289, tert-butyl N-(4-azanylbutyl)carbamate hydrochloride, N-(4-aminobutyl)carbamic acid tert-butyl ester hydrochloride

Molecular Formula: C9H21ClN2O2Molecular Weight: 224.728240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: GWPFSBFDCMJTSD-UHFFFAOYSA-N

• 2-(4-Bromobenzyl)-1h-Benzimidazole
IUPAC Name: 2-[(4-bromophenyl)methyl]-1H-benzimidazole | CAS Registry Number: 100622-41-1
Synonyms: 2-(4-BROMOBENZYL)-1H-BENZIMIDAZOLE, 1H-Benzimidazole,2-[(4-bromophenyl)methyl]-, 1H-Benzimidazole, 2-[(4-bromophenyl)methyl]-, 1H-Benzimidazole, 2-((4-bromophenyl)methyl)-, ACMC-20a2u8, SureCN483337, AGN-PC-000YDL, CTK3J9134, MolPort-011-015-923, ANW-54606, AKOS008962271, AG-D-06064, Benzimidazole,2-p-bromobenzyl- (6CI), 2-(4-bromobenzyl)-1h-benzo[d]imidazole, AK-51539, KB-222352

Molecular Formula: C14H11BrN2Molecular Weight: 287.154540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RCFICICMGDCINS-UHFFFAOYSA-N

• 4-Cyanophenylhydrazine-HCI
IUPAC Name: 4-hydrazinylbenzonitrile | CAS Registry Number: 2863-98-1
Synonyms: 4-Hydrazinobenzonitrile, ZINC00396173

Molecular Formula: C7H7N3Molecular Weight: 133.150580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DZUUSHCOMPROCJ-UHFFFAOYSA-N

• 3,4-Diaminopyridine
IUPAC Name: pyridine-3,4-diamine | CAS Registry Number: 54-96-6
Synonyms: 3,4-Pyridinediamine, 3,4-DIAMINOPYRIDINE, Diamino-3,4 pyridine, 4,5-Diaminopyridine, Pyridine, 3,4-diamino-, pyridine-3,4-diamine, 3,4 Diaminopyridine, 3-amino-4-pyridinylamine, WLN: T6NJ CZ DZ, SC10, MLS001304911, MLS001333181, MLS001333182, 3,4-Pyridinediamine (9CI), D7148_SIGMA, EINECS 200-220-9, 3,4-DAP, NSC 521760, ALBB-005969, BRN 0110232

Molecular Formula: C5H7N3Molecular Weight: 109.129180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: OYTKINVCDFNREN-UHFFFAOYSA-N

• 5-Nitro-8-Hydroxy Quinoline
IUPAC Name: 5-nitroquinolin-8-ol | CAS Registry Number: 4008-48-4
Synonyms: NITROXOLINE, Nitroxolin, Noxibiol, Nibiol, Noxin, 5-Nitroxine, 5-Nitroks, Galinok, Isinok, Nicene Forte, 5-Nitrox, 5-Nitro-8-quinolinol, Uro-Coli, 8-Hydroxy-5-nitroquinoline, 5-nitroquinolin-8-ol, Nitroxoline (TN), 8-Quinolinol, 5-nitro-, 5-Nitro-8-oxychinoline, 5-Nitro-8-oxyquinoline, 5NOK

Molecular Formula: C9H6N2O3Molecular Weight: 190.155540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RJIWZDNTCBHXAL-UHFFFAOYSA-N

• 3-Fluorophenylalanine
IUPAC Name: 2-amino-3-(3-fluorophenyl)propanoic acid | CAS Registry Number: 2629-54-1
Synonyms: m-Fluorophenylalanine, m-Fluoro-dl-phenylalanine, 3-Fluoro-3-phenylalanine, Phenylalanine, 3-fluoro-, 3-Fluoro-dl-phenylalanine, Alanine, (3-fluorophenyl)-, m-Fluorophenylalanine (VAN), WLN: QVYZ1R CF, F5126_SIGMA, FLUORO-DL-PHENYLALANINE, DL-3-(3-Fluorophenyl)alanine, ALANINE, 3-(m-FLUOROPHENYL)-, 47310_FLUKA, EINECS 207-272-1, Phenylalanine, 3-fluoro- (9CI), NSC 208960, EINECS 220-104-1, NSC 41871, NSC208960, Alanine, 3-(m-fluorophenyl)-, DL-

Molecular Formula: C9H10FNO2Molecular Weight: 183.179603 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: VWHRYODZTDMVSS-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydrocarbazole
IUPAC Name: 2,3,4,9-tetrahydro-1H-carbazole | CAS Registry Number: 942-01-8
Synonyms: 2,3-Tetramethyleneindole, 5,6,7,8-Tetrahydrocarbazole, 2,3-Tetramethylene-1H-indole, 2,3,4,9-Tetrahydro-1H-carbazole, Carbazole, 1,2,3,4-tetrahydro-, 1H-Carbazole, 2,3,4,9-tetrahydro-, T12408_ALDRICH, EINECS 213-385-7, 1H-Indole, 2,3-(1,4-butanediyl)-, NSC 17329, WLN: T B656 HM&&TJ, CARBAZOLE, 5,6,7,8-TETRAHYDRO-, NSC17329, 5,6,7,8-Tetrahydro-9H-carbazole, BRN 0133771, ZINC00967256, CARBAZOLE,1,2,3,4-TETRAHYDRO, LS-51830, Carbazole, 1,2,3,4-tetrahydro- (8CI), TL8005952

Molecular Formula: C12H13NMolecular Weight: 171.238320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XKLNOVWDVMWTOB-UHFFFAOYSA-N

• 4-NitroBenzonitrile
IUPAC Name: 4-nitrobenzonitrile | CAS Registry Number: 619-72-7
Synonyms: 4-Nitrobenzonitrile, p-Cyanonitrobenzene, Benzonitrile, 4-nitro-, 4-Cyanonitrobenzene, Benzonitrile, p-nitro-, P-NITROBENZONITRILE, CCRIS 2328, N12007_ALDRICH, NSC 5383, EINECS 210-610-0, NSC5383, STK051059, ZINC01680884, AI3-00478, LS-38764, TL8004002, InChI=1/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4

Molecular Formula: C7H4N2O2Molecular Weight: 148.118860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NKJIFDNZPGLLSH-UHFFFAOYSA-N

• (S)-2-Amino-3,3-Dimethyl-1-Butanol
IUPAC Name: [(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]azanium | CAS Registry Number: 112245-13-3
Synonyms: ZINC00162614, ZINC00391151, CID6950466

Molecular Formula: C6H16NO+Molecular Weight: 118.197340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: JBULSURVMXPBNA-RXMQYKEDSA-O

• 4-Amino-6-Hydroxypyrazolo[3,4-D]Pyrimidine
IUPAC Name: 4-amino-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-one | CAS Registry Number: 5472-41-3
Synonyms: Oprea1_561915, NSC28415, EINECS 226-811-1, SBB004064, ZINC03860174, 4-Aminopyrazolo(3,4-d)pyrimidin-6-ol, 4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-ol, 4-Amino-6-hydroxypyrazolo[3,4-d]pyrimidine, 6H-Pyrazolo[3,4-d]pyrimidin-6-one, 4-amino-1,5-dihydro-

Molecular Formula: C5H5N5OMolecular Weight: 151.126100 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: KTQYLKORCCNJTQ-UHFFFAOYSA-N

• 6-Chloroquinoxaline
IUPAC Name: 6-chloroquinoxaline | CAS Registry Number: 5448-43-1
Synonyms: Quinoxaline, 6-chloro-, NSC17797, ZINC00046555, GL-1052, InChI=1/C8H5ClN2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5

Molecular Formula: C8H5ClN2Molecular Weight: 164.591700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HOOMNCITVCXDTR-UHFFFAOYSA-N

• 3,6-Dichloro-4-Methylpyridazine
IUPAC Name: 3,6-dichloro-4-methylpyridazine | CAS Registry Number: 19064-64-3
Synonyms: 3,6-Dichloro-4-methylpyridazine, NCIOpen2_000190, 3,6-Dichloro-5-methylpyridazine, 297747_ALDRICH, Pyridazine, 3,6-dichloro-4-methyl-, NSC66367, CID87923, EINECS 242-794-3, NSC 66367, ZINC00161453, KM 08249, Pyridazine, 3,6-dichloro-4-methyl- (8CI)(9CI)

Molecular Formula: C5H4Cl2N2Molecular Weight: 163.004660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ROYHWGZNGMXQEU-UHFFFAOYSA-N

• 2,5-Dimethylbenzimidazole
IUPAC Name: 2,6-dimethyl-1H-benzimidazole | CAS Registry Number: 1792-41-2
Synonyms: Benzimidazole, 2,5-dimethyl-, NSC38553, 1H-BENZIMIDAZOLE, 2,5-DIMETHYL-, CID74525, NSC 38553, ZINC00073675, Benzimidazole, 2,5-dimethyl- (8CI), ST023271, 1H-Benzimidazole, 2,5-dimethyl- (9CI)

Molecular Formula: C9H10N2Molecular Weight: 146.189100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MVHOAOSHABGEFL-UHFFFAOYSA-N

• 5-Norbornene-2-Carboxylic Acid
IUPAC Name: bicyclo[2.2.1]hept-2-ene-6-carboxylic acid | CAS Registry Number: 120-74-1
Synonyms: Norbornenecarboxylic acid, 5-Norbornene-2-carboxylic acid, exo-5-Norbornene-2-carboxylic acid, 446440_ALDRICH, WLN: L55 A CUTJ FVQ, 5-Norbornene-2-carboxylic acid, exo-, NSC 155661, CID78949, BRN 3196451, EINECS 204-422-8, NSC152348, NSC155661, SBB008175, Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, FR-1011, NSC 152348, 5-Norbornene-2-carboxylic acid (8CI), LS-97175, AI3-51329, exo-Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid

Molecular Formula: C8H10O2Molecular Weight: 138.163800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FYGUSUBEMUKACF-UHFFFAOYSA-N

• 4-Hydroxy-7-Methoxyindan
IUPAC Name: 7-methoxy-2,3-dihydro-1H-inden-4-ol | CAS Registry Number: 38998-04-8
Synonyms: 4-Hydroxy-7-methoxyindane, SureCN835276, CTK4I0803, MolPort-001-759-899, AM961, ZINC02525558, AG-F-37699, OR11192, 7-methoxy-2,3-dihydro-1H-inden-4-ol, 1H-Inden-4-ol,2,3-dihydro-7-methoxy-, KB-85231, 1H-Inden-4-ol, 2,3-dihydro-7-methoxy-, 4-Indanol,7-methoxy- (6CI);4-Methoxy-7-indanol;7-Methoxy-4-indanol;

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MUYRQNYFMUEYKP-UHFFFAOYSA-N

• 6-Mercaptopurine
IUPAC Name: 3,7-dihydropurine-6-thione | CAS Registry Number: 50-44-2
Synonyms: mercaptopurine, Mercapurin, Leupurin, Mercaleukin, Purinethiol, Purinethol, Leukerin, 6-Mercaptopurin, Ismipur, 6-Thioxopurine, 6-Purinethiol, 6-Thiopurine, Mern, Mercaleukim, Purimethol, Leukeran, Puri-Nethol, 6-Thiohypoxanthine, Purine-6-thiol, 3H-Purine-6-thiol

Molecular Formula: C5H4N4SMolecular Weight: 152.177060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GLVAUDGFNGKCSF-UHFFFAOYSA-N

• 5-Amino-6-methylbenzimidazolone
IUPAC Name: 5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one | CAS Registry Number: 67014-36-2
Synonyms: ZERO/008841, NSC525609, ZINC01606424, ASN 07747348, 5-Amino-6-methyl-1,3-dihydro-benzoimidazol-2-one

Molecular Formula: C8H9N3OMolecular Weight: 163.176560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: ZCXIPVIGYBHUTQ-UHFFFAOYSA-N

• 2-Methyl-5-chloroanisole
IUPAC Name: 4-chloro-2-methoxy-1-methylbenzene | CAS Registry Number: 40794-04-5
Synonyms: Anisole, 5-chloro-2-methyl-, NSC159042, ZINC01606265

Molecular Formula: C8H9ClOMolecular Weight: 156.609460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RFZOGPABZLMDQW-UHFFFAOYSA-N

• 7-Fluoro-2-methylquinoline
IUPAC Name: 7-fluoro-2-methylquinoline | CAS Registry Number: 1128-74-1
Synonyms: ZINC02583407, CID2779075

Molecular Formula: C10H8FNMolecular Weight: 161.175623 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AYSKNDXTWPNRKG-UHFFFAOYSA-N

• 2-Amino-5-iodopyridine
IUPAC Name: 5-iodopyridin-2-amine | CAS Registry Number: 20511-12-0
Synonyms: 5-iodopyridin-2-amine, 5-Iodo-2-aminopyridine, 2-Pyridinamine, 5-iodo-, Pyridine, 2-amino-5-iodo-, 5-Iodo-2-pyridinamine, 5-Iodo-2-pyridinylamine, 2-Amino-5-Iodo Pyridine, TPC-PY077, 516392_ALDRICH, NSC31592, AIDS124441, AIDS-124441, ALBB-005297, NSC 31592, NCI60_002715, ST5165197, TL8006952, InChI=1/C5H5IN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8

Molecular Formula: C5H5IN2Molecular Weight: 220.011070 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IVILGUFRMDBUEQ-UHFFFAOYSA-N

• 3-Amino-1H-pyrazole-4-carboxamide hemisulfate
IUPAC Name: 5-amino-1H-pyrazole-4-carboxamide | CAS Registry Number: 27511-79-1
Synonyms: NSC1402, BB_SC-4909, 3-Amino-1H-pyrazole-4-carboxamide, CID79254, ZERO/009193, EINECS 226-252-3, ZINC01576805, 3-AMINO-4-PYRAZOLECARBOXAMIDE, 5334-31-6, Pca

Molecular Formula: C4H6N4OMolecular Weight: 126.116640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: LEFSNWUSTYESGC-UHFFFAOYSA-N

• 5-Chloro-2-Methyl Benzoxazol
IUPAC Name: 5-chloro-2-methyl-1,3-benzoxazole | CAS Registry Number: 19219-99-9
Synonyms: 5-Chloro-2-methylbenzoxazole, BENZOXAZOLE, 5-CHLORO-2-METHYL-, EINECS 242-888-4, NSC 26192, NSC26192, BRN 0120800, ZINC00395561, LS-42167, ST5405147, 2-27-00-00020 (Beilstein Handbook Reference), InChI=1/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H

Molecular Formula: C8H6ClNOMolecular Weight: 167.592340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HJCIGAUHTJBHBQ-UHFFFAOYSA-N

• 3-Amino-4-Cyanopyrazole
IUPAC Name: 5-amino-1H-pyrazole-4-carbonitrile | CAS Registry Number: 16617-46-2
Synonyms: 3-Amino-4-cyanopyrazole, 5-Amino-4-cyanopyrazole, 3-Amino-4-pyrazolecarbonitrile, 3-Aminopyrazole-4-nitrile, 3-Aminopyrazole-4-carbonitrile, 5-Aminopyrazole-4-carbonitrile, 153044_ALDRICH, Pyrazole-4-carbonitrile, 3-amino-, 5-amino-1H-pyrazole-4-carbonitrile, ZERO/001752, 3-Amino-1H-pyrazole-4-carbonitrile, BB_SC-3265, 1H-Pyrazole-4-carbonitrile, 3-amino-, NSC44932, EINECS 240-665-6, NSC 44932, ZINC01069844, TL8001275, AE-473/31199025, 103013-86-1

Molecular Formula: C4H4N4Molecular Weight: 108.101360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FFNKBQRKZRMYCL-UHFFFAOYSA-N

• 2-Aminonicotinic Acid
IUPAC Name: 2-aminopyridine-3-carboxylic acid | CAS Registry Number: 5345-47-1
Synonyms: 2-Aminonicotinic acid, Nicotinic acid, 2-amino-, A68300_ALDRICH, 2-Amino-3-pyridinecarboxylic acid, 3-Pyridinecarboxylic acid, 2-amino-, 08810_FLUKA, NSC3049, 2-Aminopyridine-3-carboxylic acid, AIDS020454, CBC 500841, Nicotinic acid, 2-amino- (8CI), AIDS-020454, NSC 3049, EINECS 226-296-3, SBB004188, ZINC00331646, A181, AC-907/25014115, InChI=1/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10

Molecular Formula: C6H6N2O2Molecular Weight: 138.124040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KPIVDNYJNOPGBE-UHFFFAOYSA-N

• 2-Amino-5-Methylthiazole
IUPAC Name: 5-methyl-1,3-thiazol-2-amine | CAS Registry Number: 7305-71-7
Synonyms: 2-Amino-5-methylthiazole, Thiazole, 2-amino-5-methyl-, 2-Thiazolamine, 5-methyl-, 380563_ALDRICH, NSC523150, STK320523, TL8005084, InChI=1/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6, 25T

Molecular Formula: C4H6N2SMolecular Weight: 114.168840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GUABFMPMKJGSBQ-UHFFFAOYSA-N

• 2-Acetylcyclopentanone
IUPAC Name: 2-acetylcyclopentan-1-one | CAS Registry Number: 1670-46-8
Synonyms: Acetylcyclopentanone, o-Acetylcyclopentanone, Cyclopentanone, 2-acetyl-, alpha-Acetylcyclopentanone, 2-Acetylcyclopentan-1-one, .alpha.-Acetylcyclopentanone, 179779_ALDRICH, EINECS 216-797-5, NSC 141181, BRN 1857601, NSC141181, AI3-19254, LS-58063, 4-07-00-01993 (Beilstein Handbook Reference)

Molecular Formula: C7H10O2Molecular Weight: 126.153100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OSWDNIFICGLKEE-UHFFFAOYSA-N

• 4-Aminomethylpiperidine
IUPAC Name: piperidin-4-ylmethanamine | CAS Registry Number: 7144-05-0
Synonyms: 4-(Aminomethyl)piperidine, 4-Piperidylmethylamine, 4-PIPERIDINEMETHANAMINE, 4-(Amionomethyl)piperidine, Piperidine, 4-(aminomethyl)-, 4-AMP, A65158_ALDRICH, NSC62826, CID23527, EINECS 230-446-3, NSC 62826, SBB004305, FS000601, TL8005012, InChI=1/C6H14N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-5,7H

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LTEKQAPRXFBRNN-UHFFFAOYSA-N

• 3-Aminobenzonitrile
IUPAC Name: 3-aminobenzonitrile | CAS Registry Number: 2237-30-1
Synonyms: 3-Cyanoaniline, m-Cyanoaniline, M-AMINOBENZONITRILE, Benzonitrile, m-amino-, m-Anthranilonitrile, Benzonitrile, 3-amino-, 164771_ALDRICH, NSC 7626, 07002_FLUKA, Benzonitrile, 3-amino- (9CI), EINECS 218-800-5, NSC7626, AIDS020235, AIDS-020235, BRN 0636498, ZINC00388409, LS-38620, TL8001873, 4-14-00-01095 (Beilstein Handbook Reference), InChI=1/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NJXPYZHXZZCTNI-UHFFFAOYSA-N

• 2,5,6-Trimethylbenzoxazole
IUPAC Name: 2,5,6-trimethyl-1,3-benzoxazole | CAS Registry Number: 19219-98-8
Synonyms: NCIOpen2_000599, Benzoxazole, 2,5,6-trimethyl-, NSC73186, CID87965, EINECS 242-887-9, NSC 73186, ZINC00394635, ST5405761

Molecular Formula: C10H11NOMolecular Weight: 161.200440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PDVDINPEWGXOHX-UHFFFAOYSA-N

• 2-Amino-3-cyanopyridine
IUPAC Name: 2-aminopyridin-1-ium-3-carbonitrile | CAS Registry Number: 24517-64-4
Synonyms: ZINC00332991, CID6946533

Molecular Formula: C6H6N3+Molecular Weight: 120.131940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YYXDQRRDNPRJFL-UHFFFAOYSA-O

• 5-Bromo-2-methylphenylamine
IUPAC Name: 5-bromo-2-methylaniline | CAS Registry Number: 39478-78-9
Synonyms: 5-Bromo-o-toluidine, 5-Bromo-2-methylaniline, 515019_ALDRICH, EINECS 254-467-2, ZINC00403348, TL8002852, InChI=1/C7H8BrN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H

Molecular Formula: C7H8BrNMolecular Weight: 186.049120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RXQNKKRGJJRMKD-UHFFFAOYSA-N

• 4-Chloro-3-nitropyridine monohydrochloride
IUPAC Name: 4-chloro-3-nitropyridine;hydrochloride | CAS Registry Number: 54079-68-4
Synonyms: 4-CHLORO-3-NITROPYRIDINE HYDROCHLORIDE, SBB065298, 4-chloro-3-nitropyridine, chloride, ACMC-20a6v1, SureCN1137081, CTK8B8264, MolPort-002-344-083, ANW-59819, AKOS006228399, AG-F-86830, AK-35568, KB-37932, 4-chloranyl-3-nitro-pyridine hydrochloride, FT-0618097, A829949, Pyridine,4-chloro-3-nitro-, hydrochloride (6CI);Pyridine, 4-chloro-3-nitro-,monohydrochloride (9CI);3-Nitro-4-chloropyridine hydrochloride;4-Chloro-3-nitropyridine-hydrochloride;

Molecular Formula: C5H4Cl2N2O2Molecular Weight: 195.003460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YTPDMOPPRVGKEW-UHFFFAOYSA-N

• 2-Chloro-4-Hydroxyquinazoline
IUPAC Name: 2-chloro-1H-quinazolin-4-one | CAS Registry Number: 607-69-2
Synonyms: 2-CHLORO-3H-QUINAZOLIN-4-ONE, 2-Chloroquinazolin-4(3H)-one, 2-chloro-1H-quinazolin-4-one, 2-chloro-4-quinazolinol, AC1N3KBB, 2-chloro-quinazolin-4-ol, SureCN577953, SureCN577954, 2-chloro-4-hydroxyquinazoline, CTK5B2218, 4(3H)-Quinazolinone,2-chloro-, MolPort-001-001-154, 4(3H)-Quinazolinone, 2-chloro-, ANW-53046, AKOS000294933, AKOS008968359, 2-chloro-3,4-dihydroquinazolin-4-one, AG-G-20890, AK-84561, BP-11152

Molecular Formula: C8H5ClN2OMolecular Weight: 180.591100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: CNGRGEDXKHIFIL-UHFFFAOYSA-N

• 4,8-Dihydroxyquinoline
IUPAC Name: 8-hydroxy-1H-quinolin-4-one | CAS Registry Number: 14959-84-3
Synonyms: Quinoline-4,8-diol, 8-Hydroxyquinolin-4(1H)-one, 10118-81-7, 4,8-Quinolinediol, C05637, SureCN1333120, 8-hydroxy-1H-quinolin-4-one, AC1L99V1, CHEBI:28883, CTK0G9478, ACT10441, AKOS006285408, AG-D-07590, AK109402, AK134624, KB-239733, KB-250420, KB-259673

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PYELIMVFIITPER-UHFFFAOYSA-N

• 6,7-Dimethoxyquinoxaline
IUPAC Name: 6,7-dimethoxyquinoxaline | CAS Registry Number: 6295-29-0
Synonyms: NSC11830, ZINC01718607

Molecular Formula: C10H10N2O2Molecular Weight: 190.198600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: GKKZBRQHUWQKMA-UHFFFAOYSA-N

• 2,4-Dimethylnicotinic Acid, Hcl
IUPAC Name: 2,4-dimethylpyridine-3-carboxylic acid;hydrochloride | CAS Registry Number: 133897-06-0
Synonyms: 2,4-DIMETHYL-3-PYRIDINECARBOXYLIC ACID HYDROCHLORIDE, 2,4-Dimethylnicotinic acid hydrochloride, 3-Pyridinecarboxylicacid, 2,4-dimethyl-, hydrochloride (1:1), ACMC-1BWJY, SureCN4249059, CTK0H4075, AKOS015911356, AB21009, AG-D-69117, 2,4-DIMETHYLNICOTINIC ACID, HCL, AK-58167, KB-17670, FT-0691438, I14-39280, 3-Pyridinecarboxylicacid, 2,4-dimethyl-, hydrochloride (9CI);2,4-Dimethylnicotinic acid hydrochloride;2,4-Dimethylpyridine-3-carboxylic acid hydrochloride;

Molecular Formula: C8H10ClNO2Molecular Weight: 187.623500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: INDASXALZAWOPK-UHFFFAOYSA-N

• (+) N-Trans[Ethoxy Carbonylmethyl]-1-Phenylethylamine
IUPAC Name: ethyl 2-(1-phenylethylamino)acetate | CAS Registry Number: 56720-98-0
Synonyms: ethyl 2-[(1-phenylethyl)amino]acetate, AC1OCDP0, MolPort-004-400-305, ethyl 2-(1-phenylethylamino)acetate, AKOS000253083, AKOS017280253, NE23258, N-TRANS[ETHOXYCARBONMETHYL]-1-PHENYLETHYLAMINE

Molecular Formula: C12H17NO2Molecular Weight: 207.268880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NFYBPTIJJCODFR-UHFFFAOYSA-N

• 3-(4-Ethoxyphenyl) Propenoic Acid
IUPAC Name: (E)-3-(4-ethoxyphenyl)prop-2-enoate | CAS Registry Number: 2373-79-7
Synonyms: ZINC00087946

Molecular Formula: C11H11O3-Molecular Weight: 191.203240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DZLOUWYGNATKKZ-VMPITWQZSA-M

• 6-Benzylaminopurine
IUPAC Name: N-(phenylmethyl)-7H-purin-6-amine | CAS Registry Number: 1214-39-7
Synonyms: N-Benzyladenine, Benzyladenine, N6-Benzyladenine, 6-Benzyladenine, Benzylaminopurine, Cytokinin B, Adenine, N-benzyl-, 6-(Benzylamino)purine, Pro-Shear, 6-Benzyl adenine, BAP (cytokinin), BA (Growth stimulant), N(6)-Benzylaminopurine, BAP (growth stimulant), Prestwick_414, Aminopurine, 6-benzyl, Caswell No. 081EE, Verdan senescence inhibitor, N(sup 6)-Benzyladenine, Benzyl(purin-6-yl)amine

Molecular Formula: C12H11N5Molecular Weight: 225.249240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NWBJYWHLCVSVIJ-UHFFFAOYSA-N

• 2-Chloro-3-Pyridine Carboxylic Acid Chloride
IUPAC Name: 2-chloropyridine-3-carbonyl chloride | CAS Registry Number: 49609-84-9
Synonyms: 2-Chloronicotinoyl chloride, 458821_ALDRICH, ZINC02169157, BTB 06401, CID2774541, InChI=1/C6H3Cl2NO/c7-5-4(6(8)10)2-1-3-9-5/h1-3

Molecular Formula: C6H3Cl2NOMolecular Weight: 176.000120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RXTRRIFWCJEMEL-UHFFFAOYSA-N

• 2-Hydroxy Quinoline
IUPAC Name: 1H-quinolin-2-one | CAS Registry Number: 59-31-4
Synonyms: Carbostyril, 2-Quinolinol, 2-Hydroxyquinoline, 2(1H)-Quinolinone, alpha-Quinolone, 2-Quinolone, Quinolin-2-ol, Quinolinol, Quinolin-2(1H)-one, 2-Quinolinone, 2(1H)-Quinolone, 2-Chinolinol, quinolin-2-one, .alpha.-Quinolone, alpha-Hydroxyquinoline, o-Aminocinnamic acid lactam, Carbostyril (VAN), 2-OXOQUINOLINE, 1H-quinolin-2-one, HYDROXYQUINOLINE

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LISFMEBWQUVKPJ-UHFFFAOYSA-N

• 4-Acetamidophenylhydrazine Hydrochloride
IUPAC Name: N-(4-hydrazinylphenyl)acetamide;hydrochloride | CAS Registry Number: 56745-86-9
Synonyms: 4-ACETAMIDOPHENYLHYDRAZINE HYDROCHLORIDE, AGN-PC-022YED, SureCN8530273, CTK8I6159, KB-36127, FT-0695609, N-(4-diazanylphenyl)ethanamide hydrochloride, N-(4-hydrazinylphenyl)acetamide hydrochloride, A831160

Molecular Formula: C8H12ClN3OMolecular Weight: 201.653380 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: YDUKQCJFYLORQF-UHFFFAOYSA-N


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