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• 4'-Trifluoromethylbiphenyl-4-ylamine
IUPAC Name: 4-[4-(trifluoromethyl)phenyl]aniline | CAS Registry Number: 57688-34-3
Synonyms: 4-[4-(trifluoromethyl)phenyl]aniline, 4'-trifluoromethyl-biphenyl-4-ylamine, 4'-trifluoromethylbiphenyl-4-ylamine, 4'-(trifluoromethyl)-[1,1'-biphenyl]-4-amine, ZINC02574122, ACMC-1AWVA, AC1MD2WS, SureCN2655246, CHEMBL242142, CTK5A7284, CHEBI:489148, MolPort-000-159-036, 4-amino-4'-trifluoromethyldiphenyl, ANW-32778, DNC007611, AKOS004113695, AG-A-63553, AK-91739, KB-195441, BB 0222481

Molecular Formula: C13H10F3NMolecular Weight: 237.220410 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PDKIAMYXBRKPBW-UHFFFAOYSA-N

• 4'-Chlorobiphenyl-4-carbaldehyde
IUPAC Name: 4-(4-chlorophenyl)benzaldehyde | CAS Registry Number: 80565-30-6
Synonyms: 4-(4-Chlorophenyl)benzaldehyde, 4-[4-Chlorophenyl]benzaldehyde, ZINC01259829, 4PNL-Q02-0, CID592570, 4'-Chloro[1,1'-biphenyl]-4-carbaldehyde

Molecular Formula: C13H9ClOMolecular Weight: 216.662960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UXCMNUUPBMYDLJ-UHFFFAOYSA-N

• 3',4'-Dichloro(1,1'-biphenyl)-4-sulfonyl chloride
IUPAC Name: 4-(3,4-dichlorophenyl)benzenesulfonyl chloride | CAS Registry Number: 501697-80-9
Synonyms: 4-(3,4-dichlorophenyl)benzenesulfonyl Chloride, 3',4'-Dichloro-Biphenyl-4-Sulfonyl Chloride, SBB054994, AC1MDRTB, AC1Q3JCS, CTK4J2220, MolPort-000-145-174, AR2090, AKOS000813776, AG-F-68420, KB-178910, [4-(3,4-dichlorophenyl)phenyl]chlorosulfone, [4-(3,4-Dichlorophenyl)phenyl]sulfonyl chloride, [4-(3,4-dichlorophenyl)phenyl]sulphonyl chloride, 3',4'-dichloro-[1,1'-biphenyl]-4-sulfonyl chloride, 3',4'-dichloro[1,1'-biphenyl]-4-sulfonyl chloride, F9995-0467

Molecular Formula: C12H7Cl3O2SMolecular Weight: 321.606780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DHVBZUPMGVOIOH-UHFFFAOYSA-N

• 4-(4-trifluoromethylpehnyl)phenylsulfonyl chloride
IUPAC Name: 4-[4-(trifluoromethyl)phenyl]benzenesulfonyl chloride | CAS Registry Number: 524046-23-9
Synonyms: 4'-TRIFLUOROMETHYLBIPHENYL-4-SULFONYL CHLORIDE, 4-[4-(trifluoromethyl)phenyl]benzenesulfonyl Chloride, 4'-(Trifluoromethyl)biphenyl-4-sulfonyl chloride, 4'-TRIFLUOROMETHYL-BIPHENYL-4-SULFONYL CHLORIDE, AC1MW8GX, AC1Q4J27, CTK1G9084, MolPort-001-778-624, 4PNS-Q07-0, AR2099, AKOS016014990, AG-B-11587, AG-F-78559, AK-44692, KB-35343, KB-195440, (4-[4-(Trifluoromethyl)Phenyl]Phenyl)Sulfonylchloride, 4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-sulfonyl chloride, [1,1'-Biphenyl]-4-sulfonylchloride, 4'-(trifluoromethyl)-, 4-(4-Trifluoromethylphenyl)phenylsulfonylchloride; 4'-(Trifluoromethyl)[1,1'-biphenyl]-4-sulfonyl chloride

Molecular Formula: C13H8ClF3O2SMolecular Weight: 320.714630 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ULTGKXKNKRJOHG-UHFFFAOYSA-N

• 1-(3-Methylphenyl)Piperazine Dihydrochloride Hydrate
IUPAC Name: 1-(3-methylphenyl)piperazine chloride | CAS Registry Number: 13078-13-2
Synonyms: NSC71662, NSC150848

Molecular Formula: C11H16ClN2-Molecular Weight: 211.711140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AUJAZQJUQBHUNI-UHFFFAOYSA-M

• 1-(3,4-DICHLORO-BENZYL)-PYRROLIDIN-3-YLAMINE DIHYDROCHLORIDE
IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride | CAS Registry Number: 828928-33-2
Synonyms: CTK8E0777, KB-213450, 1-(3,4-dichlorobenzyl)pyrrolidin-3-ylamine dihydrochloride

Molecular Formula: C11H16Cl4N2Molecular Weight: 318.070140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: ZHYOEAYJDYXNCB-UHFFFAOYSA-N

• 1-Benzylpiperidine-3-carboxylic acid hydrochloride
IUPAC Name: 1-benzylpiperidine-3-carboxylic acid;hydrochloride | CAS Registry Number: 50585-92-7
Synonyms: 1-benzylpiperidine-3-carboxylic acid hydrochloride, 1-Benzyl-piperidine-3-carboxylic acid 1HCl salt, AC1Q3EYZ, JSPY-st000279, CTK1G9204, MolPort-001-769-279, SBB101645, AKOS005073278, AB29969, AG-A-18910, LC-0722, RP14511, benzylpiperidinecarboxylicacidhydrochloride, KB-152279, FT-0639911, EN300-51466, 1-benzylpiperidine-3-carboxylic acid, chloride, 1-BENZYL-PIPERIDINE-3-CARBOXYLIC ACID HCL SALT, I14-16662, 3-Piperidinecarboxylicacid, 1-(phenylmethyl)-, hydrochloride (1:1)

Molecular Formula: C13H18ClNO2Molecular Weight: 255.740520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GDQLYIBFDWPBDT-UHFFFAOYSA-N

• 7-Methoxy-1-tetralone
IUPAC Name: 7-methoxy-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 6836-19-7
Synonyms: NCIOpen2_001805, 163368_ALDRICH, NSC97611, EINECS 229-916-0, ZINC04521666, 1(2H)-Naphthalenone, 3,4-dihydro-7-methoxy-, ST5408201, 7-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one

Molecular Formula: C11H12O2Molecular Weight: 176.211780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GABLTKRIYDNDIN-UHFFFAOYSA-N

• 5-Methoxy-1-tetralone
IUPAC Name: 5-methoxy-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 33892-75-0
Synonyms: 5-methoxytetralin-1-one, alpha-Tetralone, 5-methoxy-, 113115_ALDRICH, 65354_FLUKA, EINECS 251-723-5, NSC 310000, BRN 2047383, NSC310000, ZINC03882997, 1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-5-METHOXY-, LS-95064, 5-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one, ST5408200, 4-08-00-00903 (Beilstein Handbook Reference)

Molecular Formula: C11H12O2Molecular Weight: 176.211780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BRCPWISABURVIH-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydroisoquinoline-5-Carbonitrile
IUPAC Name: 1,2,3,4-tetrahydroisoquinoline-5-carbonitrile | CAS Registry Number: 215794-24-4
Synonyms: 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-5-CARBONITRILE, 1,2,3,4-Tetrahydroisoquinoline-5-carbonitrile, AG-E-58134, AGN-PC-00VAGR, SureCN1010480, MolPort-002-499-451, ANW-75171, ZINC12650530, AKOS006343493, AB32479, AK-34109, KB-09939, A4638, A13057, 5-CYANO-1,2,3,4-TETRAHYDROISOQUINOLINE, S14-2504, 1,2,3,4-TETRAHYDRO-5-ISOQUINOLINECARBONITRILE, 5-ISOQUINOLINECARBONITRILE, 1,2,3,4-TETRAHYDRO-, 5-Cyanoisoquinoline;Isoquinoline-5-carbonitrile;Cyanoisoquinoline;MFCD03109890;

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BTLCQUCMNTUJNV-UHFFFAOYSA-N

• 4-[2-(trifluoromethyl)phenyl]Piperidine Hydrochloride
IUPAC Name: 4-[2-(trifluoromethyl)phenyl]piperidine;hydrochloride | CAS Registry Number: 255051-14-0
Synonyms: 4-(2-(TRIFLUOROMETHYL)PHENYL)PIPERIDINE HYDROCHLORIDE, CHEMBL2011554, 4-[2-(trifluoromethyl)phenyl]piperidine hydrochloride, SureCN307161, CTK8B8267, MolPort-003-985-137, ANW-59845, RW1115, AKOS016004439, MCULE-7033299655, AK-34381, KB-33593, FT-0081087, FT-0647032, 4-(2-Trifluoromethylphenyl)Piperidinium Chloride, 4-(2-(TRIFLUOROMETHYL)PHENYL)PIPERIDINE HCL, 4-(2-TRIFLUOROMETHYLPHENYL)-PIPERIDINE HYDROCHLORIDE

Molecular Formula: C12H15ClF3NMolecular Weight: 265.702410 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BZYIRYKJNSACFP-UHFFFAOYSA-N

• 6-Bromo-1,2,3,4-tetrahydronaphthalen-2-amine
IUPAC Name: 6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine | CAS Registry Number: 167355-41-1
Synonyms: 6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine, 2-Amino-6-bromo-1,2,3,4-tetrahydronaphthalene, PubChem16651, SureCN354979, CTK4D2635, MolPort-003-886-154, QC-283, AKOS012936649, AB28753, AG-E-16748, AK-63403, KB-247658, 2-Naphthalenamine,6-bromo-1,2,3,4-tetrahydro-, 6-bromanyl-1,2,3,4-tetrahydronaphthalen-2-amine, A810855, 6-BROMO-2-1,2,3,4-TETRAHYDRONAPHTHYLAMINE, I14-13438, 6-BROMO-1,2,3,4-TETRAHYDRO-2-NAPHTHALENAMINE, 6-BROMO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE, (6-Bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amine;6-Bromo-1,2,3,4-tetrahydronaphthalen-2-amine

Molecular Formula: C10H12BrNMolecular Weight: 226.112980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WMALPFDUOAVVMB-UHFFFAOYSA-N

• [4-(4-chlorophenyl)phenyl]methylamine hydrochloride
IUPAC Name: [4-(4-chlorophenyl)phenyl]methanamine;hydrochloride | CAS Registry Number: 410077-96-2
Synonyms: 4-(4-Chlorophenyl)benzylamine hydrochloride, PubChem16923, AGN-PC-01NOS2, SureCN2069798, CHEMBL2403807, CTK7E4402, MolPort-001-760-129, AR1997, AKOS015899102, AG-A-67252, LS10090, OR12633, RP29060, AK122112, KB-34351, 4-(4-CHLOROPHENYL)BENZYLAMINE HCL, FT-0687526, A22096, 4-(4-Chlorophenyl)Phenylmethylamine hydrochloride, [4-(4-chlorophenyl)phenyl]methanamine hydrochloride

Molecular Formula: C13H13Cl2NMolecular Weight: 254.155020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: PUSWBWIRYUMVRE-UHFFFAOYSA-N

• 4-(3,4-dichloro-phenyl)-piperidine hydrochloride
IUPAC Name: 4-(3,4-dichlorophenyl)piperidine;hydrochloride | CAS Registry Number: 99329-54-1
Synonyms: 4-(3,4-DICHLORO-PHENYL)-PIPERIDINE HYDROCHLORIDE, SureCN2160176, CTK8E0762, KB-237773, 4-(3,4-dichlorophenyl)piperidine hydrochloride

Molecular Formula: C11H14Cl3NMolecular Weight: 266.594560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: OLLFIIRHBCZFGF-UHFFFAOYSA-N

• 4-(2-CHLOROPHENOXY)PIPERIDINE HYDROCHLORIDE
IUPAC Name: 4-(2-chlorophenoxy)piperidine hydrochloride | CAS Registry Number: 849107-20-6
Synonyms: AmbitAN036, ARONIS014465, MolPort-001-760-120, 4NBA-S02-1, 4-(2-Chlorophenoxy)piperidine hydrochloride

Molecular Formula: C11H15Cl2NOMolecular Weight: 248.148900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OWOPJLHKPATCOS-UHFFFAOYSA-N

• 2-BOC-AMINO-3-(2,4-DIFLUORO-PHENYL)-PROPANOIC ACID
IUPAC Name: 3-(2,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid | CAS Registry Number: 174691-78-2
Synonyms: 2-TERT-BUTOXYCARBONYLAMINO-3-(2,4-DIFLUORO-PHENYL)-PROPIONIC ACID, Boc-D-2,4-Difluorophe, Boc-L-2,4-Difluorophe, AGN-PC-00VA6D, SureCN5845045, AKOS013464849, KB-232215, 2-tert-butoxycarbonylamino-3-(2,4-difluoro-phenyl)propionic acid, 3-(2,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Molecular Formula: C14H17F2NO4Molecular Weight: 301.285886 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: JNELGIOSRKVOJY-UHFFFAOYSA-N

• 2-BOC-AMINO-3-(4-NITRO-PHENYL)-PROPANOIC ACID
IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid | CAS Registry Number: 86937-80-6
Synonyms: Boc-4-nitro-L-phenylalanine, 33305-77-0, Boc-L-4-Nitrophenylalanine, Boc-Phe(4-NO2)-OH, SBB064262, N-(tert-Butoxycarbonyl)-4-nitro-L-phenylalanine, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(4-nitrophenyl)propanoic acid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid, N-Boc-4-nitro-L-phenylalanine, (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-nitrophenyl)propanoic acid, AC1ODWBS, SureCN199415, Boc-L-4-NO2-Phe-OH, 15348_ALDRICH, 15348_FLUKA, CTK3C6188, MolPort-001-758-463, 103451-56-5, ACT10799, ANW-27605

Molecular Formula: C14H18N2O6Molecular Weight: 310.302520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: XBQADBXCNQPHHY-NSHDSACASA-N

• 3'-NITRO-BIPHENYL-4-SULFONYL CHLORIDE
IUPAC Name: 4-(3-nitrophenyl)benzenesulfonyl chloride | CAS Registry Number: 101366-50-1
Synonyms: AGN-PC-00VAOQ, CTK3J9712, AG-D-08026, [1,1'-Biphenyl]-4-sulfonyl chloride, 3'-nitro-

Molecular Formula: C12H8ClNO4SMolecular Weight: 297.714220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KTXDVWDRGRWSJW-UHFFFAOYSA-N

• 4-(4-CHLOROPHENYL)PYRROLIDINE-3-METHYLCARBOXYLATE HCL
IUPAC Name: methyl 4-(4-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride | CAS Registry Number: 862283-71-4
Synonyms: METHYL 4-(4-CHLOROPHENYL)PYRROLIDINE-3-CARBOXYLATE HYDROCHLORIDE, (+/-)-trans-Methyl 4-(4-chlorophenyl)pyrrolidine-3-carboxylate hydrochloride, AGN-PC-01NOR0, CTK6J1067, AG-B-27755, methyl (3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride

Molecular Formula: C12H15Cl2NO2Molecular Weight: 276.159000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GAUUDZXLKADUHC-UHFFFAOYSA-N

• 4-(3,4-DICHLORO-PHENOXY)-BENZALDEHYDE
IUPAC Name: 4-(3,4-dichlorophenoxy)benzaldehyde | CAS Registry Number: 78725-50-5
Synonyms: AG-H-15767, CTK2G5000, ZINC19795377, 4-(3,4-dichloro-phenoxy)benzaldehyde, AKOS005805801, Benzaldehyde, 4-(3,4-dichlorophenoxy)-, KB-237761

Molecular Formula: C13H8Cl2O2Molecular Weight: 267.107420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ATGVBRQQWGDSHD-UHFFFAOYSA-N

• 4-(4-METHOXYPHENOXY)BENZALDEHYDE
IUPAC Name: 4-(4-methoxyphenoxy)benzaldehyde | CAS Registry Number: 78725-47-0
Synonyms: 4-(4-Methoxyphenoxy)benzaldehyde, AG-H-15765, ACMC-20amvu, AC1Q4DMQ, 661260_ALDRICH, CTK2G5001, 4-(4-Methoxy-phenoxy)-benzaldehyde, ZINC11888073, Benzaldehyde, 4-(4-methoxyphenoxy)-, AKOS000260702, AB1008143, KB-238389

Molecular Formula: C14H12O3Molecular Weight: 228.243280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XXZKVKMXUPYUTR-UHFFFAOYSA-N

• 4-[((1R,4R)-2,5-DIAZABICYCLO[2.2.1]HEPT-2-YL)METHYL]BENZENECARBONITRILE
IUPAC Name: 4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)benzonitrile | CAS Registry Number: 845866-73-1
Synonyms: 4-(2,5-DIAZA-BICYCLO[2.2.1]HEPT-2-YLMETHYL)-BENZONITRILE, AC1MC3RB, AGN-PC-00HZ3D, (1S,4S)-4-(2,5-Diaza-bicyclo[2.2.1]hept-2-ylmethyl)-benzonitrile, CTK3E7358, AG-H-38058, 4-(2,5-Diaza-bicyclo[2.2.1]hept-2-ylmethyl)-, 4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)benzonitrile, (1S,4S)-(+)-4-(2,5-Diaza-bicyclo[2.2.1]hept-2-ylmethyl)-benzonitrile 2HCl salt, (1S,4S)-(+)-4-(2,5-DIAZA-BICYCLO[2.2.1]HEPT-2-YLMETHYL)-BENZONITRILE DIHYDROCHLORIDE;4-(2,5-DIAZA-BICYCLO[2.2.1]HEPT-2-YLMETHYL)-BENZONITRILE

Molecular Formula: C13H15N3Molecular Weight: 213.278300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KJGLNJLVGKZHLI-UHFFFAOYSA-N

• 8-FLUORO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE HCL
IUPAC Name: 8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride | CAS Registry Number: 847173-36-8
Synonyms: CTK8E0704, 8-Fluoro-2,3,4,5-tetrahydro-1H-benzo[b]azepine hydrochloride

Molecular Formula: C10H13ClFNMolecular Weight: 201.668323 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IXSGMCCODREUSD-UHFFFAOYSA-N

• 1-(PYRIDIN-2-YL)METHYL-PIPERIDINE-3-CARBOXYLIC ACID 2HCL
IUPAC Name: 1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid;dihydrochloride | CAS Registry Number: 887444-94-2
Synonyms: 1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid dihydrochloride, AC1Q3B4S, CTK7I9523, MolPort-001-769-278, AKOS015845488, AG-A-15970, MCULE-5024792087, KB-90122, KB-215899, EN300-36974, T6205341, 1-(pyridin-2-yl)methylpiperidine-3-carboxylic acid dihydrochloride

Molecular Formula: C12H18Cl2N2O2Molecular Weight: 293.189520 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: LJDDCUQZFRNVKX-UHFFFAOYSA-N

• 1-(PYRIDIN-3-YL)METHYL-PYRROLIDIN-3-YLAMINE 3HCL
IUPAC Name: 1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;trihydrochloride | CAS Registry Number: 169452-31-7
Synonyms: CTK8H2130, KB-215916, 1-(pyridin-3-yl)methylpyrrolidin-3-ylamine trihydrochloride, 1-PYRIDIN-3-YLMETHYL-PYRROLIDIN-3-YLAMINE TRIHYDROCHLORIDE

Molecular Formula: C10H18Cl3N3Molecular Weight: 286.629020 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: DMTHLAYAUMYMND-UHFFFAOYSA-N

• 1-(TOLUENE-4-SULFONYL)-PIPERAZINE HCL
IUPAC Name: 1-(4-methylphenyl)sulfonylpiperazine;hydrochloride | CAS Registry Number: 856843-84-0
Synonyms: 1-(TOLUENE-4-SULFONYL)-PIPERAZINE HYDROCHLORIDE, SureCN3244036, 1-Tosylpiperazine hydrochloride, CTK8E0814, AK135436, KB-216058, 1-(toluene-4-sulfonyl)piperazine hydrochloride, 1-[(4-methylbenzene)sulfonyl]piperazine hydrochloride

Molecular Formula: C11H17ClN2O2SMolecular Weight: 276.782880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: IMLDHDNEYHSNDL-UHFFFAOYSA-N

• 2-(4-BROMO-PHENYL)-2-HYDROXY-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
IUPAC Name: tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate | CAS Registry Number: 913181-90-5
Synonyms: AGN-PC-00VACQ, QC-7805, tert-butyl 2-(4-bromophenyl)-2-hydroxyethylcarbamate, tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate, [2-(4-Bromo-phenyl)-2-hydroxy-ethyl]-carbamic acid tert-butyl ester

Molecular Formula: C13H18BrNO3Molecular Weight: 316.190920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CHWSLNCYQOYQKD-UHFFFAOYSA-N

• (3,4-Difluoro-phenyl)-piperidin-4-yl-methanone hydrochloride
IUPAC Name: (3,4-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride | CAS Registry Number: 140235-26-3
Synonyms: (3,4-Difluoro-phenyl)-piperidin-4-yl-methanone HCl, CTK8E0867, KB-206982, (3,4-difluorophenyl)piperidin-4-yl-methanone hydrochloride

Molecular Formula: C12H14ClF2NOMolecular Weight: 261.695466 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: IPNJNEPAHFKDLB-UHFFFAOYSA-N

• 1-(3,4-DICHLORO-BENZYL)-PIPERIDINE-4-CARBOXYLIC ACID HCL
IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride | CAS Registry Number: 451485-54-4
Synonyms: 1-(3,4-dichlorobenzyl)-4-piperidinecarboxylic acid hydrochloride, 1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid hydrochloride, CTK7J0182, MolPort-009-195-341, AKOS005069905, AG-A-98848, RP16564, KB-213447, FT-0680226, C-4276, dichlorobenzylpiperidinecarboxylicacidhydrochloride, 2T-0248, I01-13828

Molecular Formula: C13H16Cl3NO2Molecular Weight: 324.630640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WUZRYMQBDWFXNB-UHFFFAOYSA-N

• 2-(4-CHLORO-PHENYL)-2-HYDROXY-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
IUPAC Name: tert-butyl N-[2-(4-chlorophenyl)-2-hydroxyethyl]carbamate | CAS Registry Number: 864539-93-5
Synonyms: AGN-PC-00VACO, SureCN3657534, CTK7J6320, MolPort-003-886-025, AG-B-16686, MCULE-4619737468, BOC-2-HYDROXY-2-(4-CHLOROPHENYL)-ETHYLAMINE, tert-butyl N-[2-(4-chlorophenyl)-2-hydroxyethyl]carbamate, [2-(4-Chloro-phenyl)-2-hydroxy-ethyl]-carbamic acid tert-butyl ester

Molecular Formula: C13H18ClNO3Molecular Weight: 271.739920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CNLKQPJDVIZOOZ-UHFFFAOYSA-N

• 4-(2-CHLOROPHENYL)PHENYL]METHYLAMINE HCL
IUPAC Name: [4-(2-chlorophenyl)phenyl]methanamine;hydrochloride | CAS Registry Number: 518357-42-1
Synonyms: 4-(2-Chlorophenyl)benzylamine hydrochloride, [4-(2-chlorophenyl)phenyl]methylamine hydrochloride, AGN-PC-01NOS9, CTK7E4407, AR2018, AG-A-65552, OR12640, 4-(2-CHLOROPHENYL)BENZYLAMINE HCL, [4-(2-chlorophenyl)phenyl]methanamine hydrochloride, [1,1'-Biphenyl]-4-methanamine, 2'-chloro-, hydrochloride

Molecular Formula: C13H13Cl2NMolecular Weight: 254.155020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: URGRCECNVGEABW-UHFFFAOYSA-N

• [4-(4-FLUOROPHENYL)PHENYL]METHYLAMINE HYDROCHLORIDE
IUPAC Name: [4-(4-fluorophenyl)phenyl]methanamine;hydrochloride | CAS Registry Number: 518357-40-9
Synonyms: AGN-PC-01NOS5, CHEMBL2403805, CTK8E0949, AR2006, 4-(4-FLUOROPHENYLBENZYLAMINE HCL, [4-(4-Fluorophenyl)phenyl]methylamine hydrochloride, [1,1'-Biphenyl]-4-methanamine, 4'-fluoro-, hydrochloride, C-(4'-FLUORO-BIPHENYL-4-YL)-METHYLAMINE HYDROCHLORIDE

Molecular Formula: C13H13ClFNMolecular Weight: 237.700423 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IZUWYHXAARRMGW-UHFFFAOYSA-N

• 1-(2-CHLORO-BENZYL)-PYRROLIDIN-3-YLAMINE DIHYDROCHLORIDE
IUPAC Name: 1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride | CAS Registry Number: 347194-15-4
Synonyms: CTK8E0813, KB-212923, 1-(2-chlorobenzyl)pyrrolidin-3-ylamine dihydrochloride

Molecular Formula: C11H17Cl3N2Molecular Weight: 283.625080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: YNLUWWWFIYZSMF-UHFFFAOYSA-N

• (2-HYDROXY-2-P-TOLYL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
IUPAC Name: tert-butyl N-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamate | CAS Registry Number: 778617-30-4
Synonyms: AGN-PC-00VACT, CTK7G9205, AG-B-16689, BOC-2-HYDROXY-2-(4-METHYLPHENYL)-ETHYLAMINE, (2-Hydroxy-2-p-tolyl-ethyl)-carbamic acid tert-butyl ester, tert-butyl N-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamate

Molecular Formula: C14H21NO3Molecular Weight: 251.321440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AUFONXIKPHJJFX-UHFFFAOYSA-N

• 4'-Methoxy-Biphenyl-4-Carboxylic Acid
IUPAC Name: 4-(4-methoxyphenyl)benzoate | CAS Registry Number: 725-14-4
Synonyms: ZINC01514433, CID6991371

Molecular Formula: C14H11O3-Molecular Weight: 227.235340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FDPKGXQCDURRBM-UHFFFAOYSA-M

• 2'-Methoxy[1,1'-Biphenyl]-4-Carboxylic Acid
IUPAC Name: 4-(2-methoxyphenyl)benzoate | CAS Registry Number: 5728-32-5
Synonyms: ZINC02574066, CID7021703

Molecular Formula: C14H11O3-Molecular Weight: 227.235340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YQLGXBYAHYGABI-UHFFFAOYSA-M

• 4-[4-(trifluoromethyl)phenyl]Piperidine Hydrochloride
IUPAC Name: 4-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride | CAS Registry Number: 574008-73-4
Synonyms: CHEMBL2011552, 4-(4-(TRIFLUOROMETHYL)PHENYL)PIPERIDINE HYDROCHLORIDE, 4-[4-(TRIFLUOROMETHYL)PHENYL]PIPERIDINE HYDROCHLORIDE, SureCN381390, Ambpe2020495, CTK7B6644, MolPort-003-985-136, RW1117, SBB102961, AKOS015849433, 4-(4-Trifluoromethyl)phenyl]piperidine, AG-C-01082, QC-7302, AK-35704, KB-97381, KB-186849, FT-0649500, 4-(4-Trifluoromethylphenyl)Piperidinium Chloride, 4-(4-TRIFLUOROMETHYLPHENYL)-PIPERIDINE HCL, 4-[4-(trifluoromethyl)phenyl]piperidine, chloride

Molecular Formula: C12H15ClF3NMolecular Weight: 265.702410 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KURKYPUJETYTIT-UHFFFAOYSA-N

• 2-AMINO-7-METHOXY-INDAN-1-OL HCL
IUPAC Name: 2-amino-7-methoxy-2,3-dihydro-1H-inden-1-ol;hydrochloride | CAS Registry Number: 872785-85-8
Synonyms: 2-Amino-7-methoxy-indan-1-ol hydrochloride, CTK8E0722, KB-228146

Molecular Formula: C10H14ClNO2Molecular Weight: 215.676660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: KSNPKQVKNNELPR-UHFFFAOYSA-N

• 4-(PIPERIDIN-4-YLOXY)-BENZONITRILE HCL
IUPAC Name: 4-piperidin-4-yloxybenzonitrile;hydrochloride | CAS Registry Number: 333954-90-8
Synonyms: 4-(piperidin-4-yloxy)benzonitrile hydrochloride, AC1Q3CEJ, AGN-PC-01MEOA, SureCN2705400, CTK7C8112, MolPort-016-636-167, AR2147, AG-A-69025, KB-239176, 4-piperidin-4-yloxybenzonitrile;hydrochloride, 4-(PIPERIDIN-4-YLOXY)BENZONITRILE HCL, EN300-69154

Molecular Formula: C12H15ClN2OMolecular Weight: 238.713300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VXGQMTUMJLRDDQ-UHFFFAOYSA-N

• 6,8-DIFLUORO-1,2-DIHYDRO-NAPHTHALENE
IUPAC Name: 6,8-difluoro-1,2-dihydronaphthalene | CAS Registry Number: 185918-49-4
Synonyms: AGN-PC-00VAO8, CTK4D9097, 6,8-difluoro-1,2-dihydronaphthalene, AKOS006288514, AG-E-35144, Naphthalene,6,8-difluoro-1,2-dihydro-, KB-57612, Naphthalenylium,1,3-difluoro-8,?-dihydro- (9CI), 939760-86-8

Molecular Formula: C10H8F2Molecular Weight: 166.167326 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SQVICXDNASSTAD-UHFFFAOYSA-N

• 6-CHLORO-1A,2,3,7B-TETRAHYDRO-1-OXA-CYCLOPROPA[A]NAPHTHALENE
IUPAC Name: 6-chloro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene | CAS Registry Number: 69739-63-5
Synonyms: 6-Chloro-1a,2,3,7b-tetrahydro-1-oxa-cyclopropa[a]naphthalene, AGN-PC-00VANJ, CTK8C6396, AKOS006288585, 6-chloro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene

Molecular Formula: C10H9ClOMolecular Weight: 180.630860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ANQJGYQAFBUBFJ-UHFFFAOYSA-N

• 6-FLUORO-1,2-DIHYDRO-NAPHTHALENE
IUPAC Name: 6-fluoro-1,2-dihydronaphthalene | CAS Registry Number: 185918-29-0
Synonyms: AGN-PC-00VAO4, 6-fluoro-1,2-dihydronaphthalene, CTK4D9096, AKOS006288267, AG-E-35143, KB-45384, FT-0692877, Naphthalenylium,2-fluoro-6,?-dihydro- (9CI)

Molecular Formula: C10H9FMolecular Weight: 148.176863 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WDWSBTOBDAWTMK-UHFFFAOYSA-N

• (4-CHLORO-PHENYL)-MORPHOLIN-4-YL-ACETIC ACID HCL
IUPAC Name: 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride | CAS Registry Number: 876715-47-8
Synonyms: CTK8E0877, KB-208113, (4-chlorophenyl)morpholin-4-yl-acetic acid hydrochloride, (4-Chloro-phenyl)-morpholin-4-yl-aceticacid hydrochloride, (4-CHLORO-PHENYL)-MORPHOLIN-4-YL-ACETIC ACID HYDROCHLORIDE

Molecular Formula: C12H15Cl2NO3Molecular Weight: 292.158400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YNKMSKZQKPLVBX-UHFFFAOYSA-N

• 1A,2,3,7B-TETRAHYDRO-1-OXA-CYCLOPROPA[A]NAPHTHALENE
IUPAC Name: 1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene | CAS Registry Number: 2461-34-9
Synonyms: 1,2-Dialin oxide, 1,2-Etn, NSC67882, MolPort-003-886-546, CID92182, NSC 67882, 1,2,3,4-Tetrahydronaphthalene-1,2-oxide, 1,2-Epoxy-1,2,3,4-tetrahydronaphthalene, 1,2,3,4-Tetrahydronaphthalene 1,2-epoxide, Naphthalene, 1,2-epoxy-1,2,3,4-tetrahydro-, AI3-05989, Naphth[1,2-b]oxirene, 1a,2,3,7b-tetrahydro-, Naphth(1,2-b)oxirene, 1a,2,3,7a-tetrahydro-, Naphthalene, 1,2-epoxy-1,2,3,4-tetrahydro- (8CI), Naphth(1,2-b)oxirene, 1a,2,3,7b-tetrahydro- (9CI)

Molecular Formula: C10H10OMolecular Weight: 146.185800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZWBOIOUXXAJRAU-UHFFFAOYSA-N

• 2,3-DIHYDRO-1H-INDOLE-4-CARBOXYLIC ACID METHYL ESTER HCL
IUPAC Name: methyl 2,3-dihydro-1H-indole-4-carboxylate | CAS Registry Number: 155135-61-8
Synonyms: 4-METHOXYCARBONYL-2,3-DIHYDRO-1H-INDOLE, Methyl indoline-4-carboxylate, AGN-PC-00VAHV, ACMC-209dc2, SureCN3872064, CTK8B0877, MolPort-003-886-279, ACN-P001089, ANW-21552, ZINC08699782, AKOS006240480, AK-92481, methyl 2,3-dihydro-1H-indole-4-carboxylate, A-2677, 2,3-Dihydro-1H-indole-4-carboxylic acid methyl ester 1HCl salt

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AOWXPFSYLFDFHC-UHFFFAOYSA-N

• 4'-Chlorobiphenyl-4-ylamine
IUPAC Name: 4-(4-chlorophenyl)aniline | CAS Registry Number: 135-68-2
Synonyms: 4-Amino-4'-chlorobiphenyl, 4-Biphenylamine, 4'-chloro-, p'-Chloro-p-phenylaniline, p-Amino-p'-chlorobiphenyl, CCRIS 5144, 4-AMINO-4'-CHLORODIPHENYL, EINECS 205-211-3, BM194, NSC95713, BRN 2207825, ZINC01621382, (1,1'-Biphenyl)-4-amine, 4'-chloro-, LS-44124, [1,1'-Biphenyl]-4-amine, 4'-chloro-, 4-12-00-03269 (Beilstein Handbook Reference)

Molecular Formula: C12H10ClNMolecular Weight: 203.667500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OREQWMWYRYXCDF-UHFFFAOYSA-N

• 5,7-Difluoro-2-tetralone
IUPAC Name: 5,7-difluoro-3,4-dihydro-1H-naphthalen-2-one | CAS Registry Number: 172366-38-0
Synonyms: 5,7-difluoro-3,4-dihydro-1H-naphthalen-2-one, 5,7-difluoro-3,4-dihydronaphthalen-2(1H)-one, AC1MU5SW, SureCN1797507, CTK0H4398, 5,7-DF2T, ZINC04202746, AKOS006345963, AG-E-21650, MB02952, KB-73153, D16432, A811408, 5,7-bis(fluoranyl)-3,4-dihydro-1H-naphthalen-2-one, I14-41986, 5,7-DIFLUORO-1,2,3,4-TETRAHYDRONAPHTHALEN-2-ONE, 5,7-Difluoro-3,4-dihydronaphthalen-2(1H)-one;2(1H)-naphthalenone, 5,7-difluoro-3,4-dihydro-;

Molecular Formula: C10H8F2OMolecular Weight: 182.166726 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HOUVATQQKYAEBB-UHFFFAOYSA-N

• 1-(4-Chlorobenzyl)piperazine
IUPAC Name: 1-[(4-chlorophenyl)methyl]piperazine | CAS Registry Number: 23145-88-2
Synonyms: Chlorbenzylpiperazine, Norhomochlorcyclizine, 4-Chlorobenzylpiperazine, ChemDiv3_001824, NCIOpen2_005665, Oprea1_021072, Oprea1_297115, 1-(4-Chlorobenzyl)-piperazine, 650218_ALDRICH, 652822_ALDRICH, 1-(4-Chloro-benzyl)-piperazine, ALBB-000381, CID134826, SBB003437, IDI1_020790, BAS 01375863, Piperazine, 1-((4-chlorophenyl)methyl)-, EU-0006924, A2334/0098507

Molecular Formula: C11H15ClN2Molecular Weight: 210.703200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GSJXJZOWHSTWOX-UHFFFAOYSA-N

• 5-Methoxy-1,2,3,4-Tetrahydroisoquinoline Hydrochloride
IUPAC Name: 5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride | CAS Registry Number: 103030-69-9
Synonyms: 5-METHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE, AGN-PC-00OG8C, SureCN1124611, CTK8E0716, AKOS015909156, AK-56421, KB-43514, FT-0692754, A20013, I14-34002, 5-Methoxy-1,2,3,4-tetrahydro-isoquinoline hydrochloride, Isoquinoline, 1,2,3,4-tetrahydro-5-methoxy-, hydrochloride

Molecular Formula: C10H14ClNOMolecular Weight: 199.677260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GBWPQBYOAUWWLS-UHFFFAOYSA-N

• (4-CHLORO-PHENYL)-(PYRIDIN-4-YL)-METHYLAMINE 2HCL
IUPAC Name: (4-chlorophenyl)-pyridin-4-ylmethanamine | CAS Registry Number: 883548-16-1
Synonyms: C-(4-Chloro-phenyl)-C-pyridin-4-yl-methylamine, AC1MKHVF, BAS 08766944, Ambcb4003401, SureCN3051353, CTK6G9305, MolPort-002-013-377, AKOS000248982, AG-B-18061, (4-chlorophenyl)-pyridin-4-ylmethanamine, AK105462, (4-chlorophenyl)(pyridin-4-yl)methanamine, C-(4-Chloro-phenyl)-C-pyridin-4-yl-methylamine 2HCl salt

Molecular Formula: C12H11ClN2Molecular Weight: 218.682140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YCSMATSKHPALAR-UHFFFAOYSA-N


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