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Profile: Shanghai Chemhere Co., Ltd. deals with lab reagent, fine chemicals and active pharmaceutical ingredients. We develop catalysts and key reagents for laboratories. Our chemicals are used in research institutes and universities. We also offer custom synthesis in both research and development scale.

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• 1-Methyl-3-phenyl-1H-pyrazol-5-amine
IUPAC Name: 2-methyl-5-phenylpyrazol-3-amine | CAS Registry Number: 10199-50-5
Synonyms: Maybridge1_004465, 5-Amino-1-methyl-3-phenylpyrazole, ALBB-006565, SBB005507, ZINC00095216, SDCCGMLS-0066128.P001, SR-01000633522-1, InChI=1/C10H11N3/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-7H,11H2,1H

Molecular Formula: C10H11N3Molecular Weight: 173.214440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KCYRMURRLLYLPU-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one
IUPAC Name: 1,2,3,4-tetrahydro-1-benzazepin-5-one | CAS Registry Number: 1127-74-8
Synonyms: NSC163836, ZINC04244951, 1,2,3,4-Tetrahydrobenzoazepine-5-one, TL80073553

Molecular Formula: C10H11NOMolecular Weight: 161.200440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NKRKBYFBKLDCFB-UHFFFAOYSA-N

• 7-Hydroxy-2-tetralone
IUPAC Name: 7-hydroxy-3,4-dihydro-1H-naphthalen-2-one | CAS Registry Number: 37827-68-2
Synonyms: 7-hydroxy-3,4-dihydro-1H-naphthalen-2-one, 7-Hydroxy-3,4-dihydronaphthalen-2(1H)-one, SureCN266616, AC1N5PD3, 7-HYDROXYL-2-TETRALONE, Jsp006663, CTK4H8874, MolPort-003-989-993, ANW-50600, WTI-10066, ZINC06322654, AKOS006295401, AB17138, AG-F-33115, RP22524, AK-27129, BR-27129, KB-46418, AB1008055, FT-0650340

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LTLOEHIVHXTMBN-UHFFFAOYSA-N

• 3-Chloro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
IUPAC Name: 3-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one | CAS Registry Number: 86499-23-2
Synonyms: 3-chloro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, 3-Chloro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one, AGN-PC-00LNTQ, SureCN7430237, KSC494E6N, CHEMBL66819, CTK3J4266, MolPort-020-001-877, ANW-66748, AKOS006331603, AG-H-48944, AK-98828, R470, KB-181392, FT-0688172, M-2315, 3-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one, A841686, 3-chloro-1,3,4,5-tetrahydro-[1]benzazepin-2-one, 3-chloranyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Molecular Formula: C10H10ClNOMolecular Weight: 195.645500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VOEMRDMQXDUFDU-UHFFFAOYSA-N

• 2-(4-Nitrophenyl)butyric acid
IUPAC Name: 2-(4-nitrophenyl)butanoic acid | CAS Registry Number: 7463-53-8
Synonyms: 2-(p-Nitrophenyl)butyric acid, EINECS 231-256-3, alpha-Ethyl-4-nitrobenzeneacetic acid, NSC 68215, NSC 404387, NSC23310, NSC68215, NSC404387, BUTYRIC ACID, 2-(p-NITROPHENYL)-, Benzeneacetic acid, alpha-ethyl-4-nitro-, LS-48129, ST5446656, Benzeneacetic acid, alpha-ethyl-4-nitro- (9CI), 46406-87-5

Molecular Formula: C10H11NO4Molecular Weight: 209.198640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XBGNOMBPRQVJSR-UHFFFAOYSA-N

• 2,4-Dimethyl Acetophenone
IUPAC Name: 1-(2,4-dimethylphenyl)ethanone | CAS Registry Number: 89-74-7
Synonyms: Acetyl-m-xylene, 2,4-Dimethylacetophenone, 2',4'-Dimethylacetophenone, Acetophenone, 2',4'-dimethyl-, Ethanone, 1-(2,4-dimethylphenyl)-, D138207_ALDRICH, W238708_ALDRICH, FEMA No. 2387, 38871_FLUKA, Methyl 2,4-dimethylphenyl ketone, NSC15333, EINECS 201-935-9, 1-(2,4-DIMETHYLPHENYL)ETHANONE, NSC 15333, ZINC01706892, Acetophenone, 2',4'-dimethyl- (8CI), AI3-20801, ST5331351

Molecular Formula: C10H12OMolecular Weight: 148.201680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HSDSKVWQTONQBJ-UHFFFAOYSA-N

• 4-(Chloromethyl)benzoic acid ethyl ester
IUPAC Name: ethyl 4-(chloromethyl)benzoate | CAS Registry Number: 1201-90-7
Synonyms: NSC124619, CID276519

Molecular Formula: C10H11ClO2Molecular Weight: 198.646140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JTTXRFNOFFGPFI-UHFFFAOYSA-N

• 3-Benzoylpropionic Acid
IUPAC Name: 4-oxo-4-phenylbutanoic acid | CAS Registry Number: 2051-95-8
Synonyms: 3-Benzoylpropionic acid, 3-Benzoylpropanoic acid, beta-Benzoylpropionic acid, 4-Oxo-4-phenylbutyric acid, Propanoic acid, 3-benzoyl-, Propionic acid, 3-benzoyl-, 4-Oxo-4-phenylbutanoic acid, ChemDiv3_013347, .beta.-Benzoylpropionic acid, B13802_ALDRICH, Benzenebutanoic acid, .gamma.-oxo-, Benzenebutanoic acid, gamma-oxo-, NSC2092, AIDS017960, AIDS-017960, NSC 2092, NSC51010, EINECS 218-135-0, Propionic acid, 3-benzoyl- (8CI), NSC 51010

Molecular Formula: C10H10O3Molecular Weight: 178.184600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KMQLIDDEQAJAGJ-UHFFFAOYSA-N

• (S)-Benzyloxymethyl-oxirane
IUPAC Name: (2S)-2-(phenylmethoxymethyl)oxirane | CAS Registry Number: 16495-13-9
Synonyms: (S)-O-Benzylglycidol, (S)-Benzyl glycidyl ether, (+)-Benzyl glycidyl ether, (S)-(Benzyloxymethyl)oxirane, (+)-(Benzyloxymethyl)oxirane, CCRIS 6386, 363537_ALDRICH, ()-Benzyl (S)-glycidyl ether, (R)-1-(Benzyloxy)-2,3-epoxypropane, (S)-()-2-(Benzyloxymethyl)oxirane, ZINC02170166, NCGC00166091-01, Propane, 1-(benzyloxy)-2,3-epoxy-, (R)-, Oxirane, ((phenylmethoxy)methyl)-, (S)-, LS-119620, Propane, 1-(benzyloxy)-2,3-epoxy-, (S)-, Oxirane, ((phenylmethoxy)methyl)-, (S)- (9CI), Propane, 1-(benzyloxy)-2,3-epoxy-, (S)- (8CI)

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QNYBOILAKBSWFG-SNVBAGLBSA-N

• 4-Methoxy Phenyl Propionic Acid
IUPAC Name: 3-(4-methylphenoxy)propanoic acid | CAS Registry Number: 25173-37-9
Synonyms: ChemDiv2_001074, p-Methoxyhydrocinnamic acid, MLS001002938, 3-(p-Methoxyphenyl)propionic acid, 548863_ALDRICH, IFLab1_006148, IFLab2_000178, 3-(4-Methylphenoxy)propionic acid, Propanoic acid, 3-(4-methylphenoxy)-, NSC134095, IDI1_019204, SMR000372578, EU-0014129, A3762/0159559

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GNPISAHACGIXLZ-UHFFFAOYSA-N

• 2-(1-Pyrrolidinyl)nicotinaldehyde
IUPAC Name: 2-pyrrolidin-1-ylpyridine-3-carbaldehyde | CAS Registry Number: 690632-39-4
Synonyms: 2-pyrrolidin-1-ylpyridine-3-carbaldehyde, 2-(1-pyrrolidinyl)nicotinaldehyde, AG-G-68380, 2-(PYRROLIDIN-1-YL)NICOTINALDEHYDE, AC1MDRUB, CTK5C8996, MolPort-000-145-197, 2-pyrrolidinylpyridine-3-carbaldehyde, SBB089179, ZINC20231033, AKOS006229933, MO07059, KB-13755, KB-92482, 2-(pyrrolidin-1-yl)pyridine-3-carbaldehyde, 2-(1-pyrrolidinyl)-3-pyridinecarboxaldehyde, FT-0691190, 3-Pyridinecarboxaldehyde,2-(1-pyrrolidinyl)-, A836342, 2-(1-Pyrrolidinyl)-3-pyridinecarboxaldehyde;2-(1-Pyrrolidinyl)nicotinealdehyde;

Molecular Formula: C10H12N2OMolecular Weight: 176.215080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FTACFSVJFQMXQE-UHFFFAOYSA-N

• 4-Methyl Phenyl Propionic Acid
IUPAC Name: 3-(4-methylphenyl)propanoic acid | CAS Registry Number: 1505-50-6
Synonyms: 3-(p-Tolyl)propionic acid, p-Methylhydrocinnamic acid, 2ay4, Maybridge3_000616, 3-(4-Methylphenyl)propionic acid, 118265_ALDRICH, NSC512, 3-(4-Methylphenyl)propanoic acid, CID73927, EINECS 216-132-9, SBB016295, P-(METHYLPHENYL)PROPANOIC ACID, DB03400, IDI1_012003, PPT, InChI=1/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12

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

InChIKey: LDYGRLNSOKABMM-UHFFFAOYSA-N

• 2,3-Dimethylphenoxyacetic acid
IUPAC Name: 2-(2,3-dimethylphenoxy)acetic acid | CAS Registry Number: 2935-63-9
Synonyms: Enamine_005510, 2,3-Xylyloxyacetic acid, ARONIS006808, NSC62095, (2,3-dimethylphenoxy)acetic acid, ALBB-000804, CID76239, EINECS 220-911-9, SBB016276

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AVDBMBYECMTQJQ-UHFFFAOYSA-N

• 6-Fluoro-2-Methyl-1,2,3,4-Tetrahydroquinoline
IUPAC Name: 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline | CAS Registry Number: 42835-89-2
Synonyms: STOCK1S-52663, EINECS 255-963-1, CID591684, ZINC00389572, 6-Fluoro-1,2,3,4-tetrahydro-2-methylquinoline, Quinoline, 6-fluoro-1,2,3,4-tetrahydro-2-methyl-, .+/-.-6-Fluoro-1,2,3,4-tetrahydro-2-methylquinoline

Molecular Formula: C10H12FNMolecular Weight: 165.207383 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BDCCXYVTXRUGAN-UHFFFAOYSA-N

• 5-Methoxy-1-indanone
IUPAC Name: 5-methoxy-2,3-dihydroinden-1-one | CAS Registry Number: 5111-70-6
Synonyms: 5-Methoxyindan-1-one, 1-Indanone, 5-methoxy-, NCIOpen2_001045, 183539_ALDRICH, NSC82964, CID78787, EINECS 225-838-6, ZINC00391180, TL806238, 1H-Inden-1-one, 2,3-dihydro-5-methoxy-, ST5330619, InChI=1/C10H10O2/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h3-4,6H,2,5H2,1H

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QOPRWBRNMPANKN-UHFFFAOYSA-N

• (R)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid
IUPAC Name: (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | CAS Registry Number: 103733-65-9
Synonyms: (r)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylicacid, (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 1,2,3,4-D-tetrahydroisoquinoline-3-carboxylic acid, D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, (R)-(+)-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid, AC1LEHRS, SureCN288260, (R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, AC1Q5QX4, KSC174K4J, 87433_ALDRICH, Jsp000377, 87433_FLUKA, CTK0H4544, MolPort-001-758-754, BB_NC-1451, KST-1A8052, ANW-43631, AR-1A7804, AKOS010367109

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BWKMGYQJPOAASG-SECBINFHSA-N

• 6-methylindan-1-one
IUPAC Name: 6-methyl-2,3-dihydroinden-1-one | CAS Registry Number: 24623-20-9
Synonyms: 6-Methyl-1-indanone, 6-methyl-2,3-dihydroinden-1-one, 6-Methyl-indan-1-one, 6-methyl-2,3-dihydro-1H-inden-1-one, SBB069423, ZINC02564969, PubChem8851, AC1MDSKX, ACMC-209gdm, SureCN354988, AC1Q2N3V, AC1Q2O7J, 423734_ALDRICH, CTK4F4058, MolPort-001-766-246, AM868, ANW-25496, AKOS009158544, AG-E-73691, MCULE-7931236286

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

InChIKey: DBOXRDYLMJMQBB-UHFFFAOYSA-N

• 4-Acetamido-2-methylbenzoic acid
IUPAC Name: 4-acetamido-2-methylbenzoic acid | CAS Registry Number: 103204-69-9
Synonyms: SBB058914, 4-(acetylamino)-2-methylbenzoic acid, ACMC-20amqf, SureCN377804, AC1MC2U1, 549665_ALDRICH, CTK3J5646, 4'-acetamido-2-methylbenzoicacid, MolPort-001-770-853, ACT08036, AKOS009159401, AG-D-13645, MCULE-8562263340, AK-40258, BP-10615, KB-188789, ST50827367, X8018, AE-562/43460584, I14-34009

Molecular Formula: C10H11NO3Molecular Weight: 193.199240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AQPDTYYKDYMCTH-UHFFFAOYSA-N

• 3-(3,4-Methylenedioxyphenyl)propionic acid
IUPAC Name: 3-(1,3-benzodioxol-5-yl)propanoic acid | CAS Registry Number: 2815-95-4
Synonyms: Maybridge1_000762, 1,3-Benzodioxole-5-propanoic acid, Oprea1_823033, 657565_ALDRICH, EINECS 220-565-9, 3,4-Methylenedioxyhydrocinnamic acid, Benzo-1,3-dioxole-5-propionic acid, NSC 55524, 3,4-(Methylenedioxy)hydrocinnamic acid, NSC55524, BRN 0181735, Hydrocinnamic acid, 3,4-(methylenedioxy)-, WLN: T56 BO DO CHJ G2VQ, SBB000324, 3,4-Methylenedioxydihydrocinnamic acid, AI3-19943, SDCCGMLS-0065841.P001, LS-77213, .beta.(3,4-Methylenedioxyphenyl)propionic acid, 5-19-07-00319 (Beilstein Handbook Reference)

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UIYJGLLTSVRSBM-UHFFFAOYSA-N

• 2-methoxycinnamaldehyde
IUPAC Name: (E)-3-(2-methoxyphenyl)prop-2-enal | CAS Registry Number: 1504-74-1
Synonyms: 2-Methoxycinnamaldehyde, Cinnamaldehyde, o-methoxy-, o-Methoxycinnamic aldehyde, o-Methoxy cinnamaldehyde, 2'-Methoxycinnamaldehyde, O-METHOXYCINNAMALDEHYDE, Methoxycinnamaldehyde, o-, 3-O-Methoxyphenyl-2-propenal, beta-(o-Methoxyphenyl)acrolein, FEMA No. 3181, 2-Propenal, 3-(2-methoxyphenyl)-, CCRIS 3196, O-Methoxyphenyl acrolein, beta-, o-Methoxycinnamaldehyde (natural), o-Methoxycinnamicaldehyde crystals, 3-(2-Methoxyphenyl)-2-propenal, EINECS 216-131-3, NSC 114599, (2E)-3-(2-methoxyphenyl)acrylaldehyde, BRN 2436856

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KKVZAVRSVHUSPL-GQCTYLIASA-N

• 3-(Cyclopropylaminocarbonyl)phenylboronic Acid
IUPAC Name: [3-(cyclopropylcarbamoyl)phenyl]boronic acid | CAS Registry Number: 850567-23-6
Synonyms: 3-(Cyclopropylaminocarbonyl)phenylboronic acid, 3-(Cyclopropylaminocarbonyl)benzeneboronic acid, (3-(Cyclopropylcarbamoyl)phenyl)boronic acid, [3-(cyclopropylcarbamoyl)phenyl]boronic Acid, [3-(Cyclopropylaminocarbonyl)Phenyl]Boronic Acid, ACMC-209q0c, SureCN148956, AC1MZL97, CTK5F3912, MolPort-001-760-442, AC1Q7149, ANW-37978, AKOS015840752, AB20418, AG-H-41189, OR13158, 3-(cyclopropylcarbamoyl)phenylboronic acid, AK-84305, BP-10881, KB-27535

Molecular Formula: C10H12BNO3Molecular Weight: 205.018180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: ACYLEYDBPWXTIO-UHFFFAOYSA-N

• 5,6-Dichloro-1-ethyl-2-methylbenzimidazole
IUPAC Name: 5,6-dichloro-1-ethyl-2-methylbenzimidazole | CAS Registry Number: 3237-62-5
Synonyms: CBDivE_008738, CID76717, EINECS 221-797-3, ZINC00236070, BAS 00009391, ST5000020, 1-Ethyl-2-methyl-5,6-dichlorobenzimidazole, 5,6-Dichloro-1-ethyl-2-methyl-1H-benzimidazole, 5,6-Dichloro-1-ethyl-2-methyl-1H-benzoimidazole, 1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-

Molecular Formula: C10H10Cl2N2Molecular Weight: 229.105800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IVVLMQPTQOLYDX-UHFFFAOYSA-N

• 2,4,5-Trimethylbenzoic acid
IUPAC Name: 2,4,5-trimethylbenzoic acid | CAS Registry Number: 528-90-5
Synonyms: Durylic acid, Benzoic acid, 2,4,5-trimethyl-, 2,4,5-TRIMETHYLBENZOIC ACID, 526444_ALDRICH, NSC 147400, CID10714, BRN 2084752, NSC147400, LS-38536, ST5410154, 4-09-00-01862 (Beilstein Handbook Reference)

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

InChIKey: QENJZWZWAWWESF-UHFFFAOYSA-N

• 8-Amino-2-methylquinoline
IUPAC Name: 2-methylquinolin-8-amine | CAS Registry Number: 18978-78-4
Synonyms: 8-Aminoquinaldine, nchembio794-comp13, 8-AMINOQUINOLINE, 2-Methyl-8-quinolinamine, 8-Quinolinamine, 2-methyl-, 2-Methyl-quinolin-8-ylamine, MLS000718875, NSC7944, SBB010401, ZINC01586322, BAS 08909099, SMR000291143

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

InChIKey: JHIAOWGCGNMQKA-UHFFFAOYSA-N

• 2-Oxo-4-phenyl-butyric acid
IUPAC Name: 2-oxo-4-phenylbutanoic acid | CAS Registry Number: 710-11-2
Synonyms: 2-Oxo-4-phenylbutyric acid, 2-oxo-4-phenylbutanoic acid, Benzenebutanoic acid, alpha-oxo-, AIDS189857, AIDS-189857, EINECS 211-916-7, GL-0706

Molecular Formula: C10H10O3Molecular Weight: 178.184600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PPKAIMDMNWBOKN-UHFFFAOYSA-N

• 1-Methyl-7-Nitro-1,2,3,4-Tetrahydroquinoline
IUPAC Name: 1-methyl-7-nitro-3,4-dihydro-2H-quinoline | CAS Registry Number: 39275-18-8
Synonyms: 1-Methyl-7-nitro-1,2,3,4-tetrahydroquinoline, N-Methyl-7-nitro-1,2,3,4-tetrahydroquinoline, 1-Methyl-7-nitro-1,2,3,4-tetrahydro, 1-Methyl-7-nitro-1,2,3,4-tetrahydro-quinoline, -quinoline, PubChem5860, 1-methyl-7-nitro-3,4-dihydro-2H-quinoline, AGN-PC-009YQJ, SureCN3586952, Jsp006822, CTK4I1242, MolPort-005-942-220, ACT01934, ANW-47532, SBB068452, ZINC22011241, AKOS005255359, AC-1921, AG-F-38768, RP25176

Molecular Formula: C10H12N2O2Molecular Weight: 192.214480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UIQYGCGBKBKFJY-UHFFFAOYSA-N

• 4-Hydroxybenzylideneacetone
IUPAC Name: (E)-4-(4-hydroxyphenyl)but-3-en-2-one | CAS Registry Number: 3160-35-8
Synonyms: p-Hydroxybenzalacetone, Ambap499, 4-Hydroxycinnamoylmethane, 4-Hydroxybenzal acetone, p-Hydroxybenzylidene acetone, 1-(4-Hydroxybenzylidene)acetone, 4-(p-Hydroxyphenyl)-3-buten-2-one, AIDS017763, AIDS-017763, EINECS 221-607-9, NSC 26516, ZINC00301268, 4-(4-Hydroxyphenyl)but-3-en-2-one, 3-Buten-2-one, 4-(p-hydroxyphenyl)-, 3-Buten-2-one, 4-(4-hydroxyphenyl)-, AI3-30539, AI3-35956, C12088, 3-Buten-2-one, 4-(4-hydroxyphenyl)-, (E)-, 22214-30-8

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OCNIKEFATSKIBE-NSCUHMNNSA-N

• 2-Chloro-5-(1,1-dimethylethyl)-1,3-dinitrobenzene
IUPAC Name: 5-tert-butyl-2-chloro-1,3-dinitrobenzene | CAS Registry Number: 2213-81-2
Synonyms: EINECS 218-672-0, CID75176, 4-tert-Butyl-2,6-dinitrochlorobenzene

Molecular Formula: C10H11ClN2O4Molecular Weight: 258.658340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: FRFMLDNFLXIDSH-UHFFFAOYSA-N

• 3-Nitrobutyrophenone
IUPAC Name: 1-(3-nitrophenyl)butan-1-one | CAS Registry Number: 50766-86-4
Synonyms: m-Nitrobutyrophenone, 3'-Nitrobutyrophenone, 1-Butanone, 1-(3-nitrophenyl)-, 1-(3-Nitrophenyl)-1-butanone, MolPort-001-797-400, NSC210921, CID142747, ZINC01746599, T0518-0618

Molecular Formula: C10H11NO3Molecular Weight: 193.199240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HJLRYDBRORTQIU-UHFFFAOYSA-N

• 2'-Deoxyguanosine 5'-monophosphate disodium salt
IUPAC Name: disodium [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphate | CAS Registry Number: 33430-61-4
Synonyms: EINECS 251-517-5, 2'-Deoxyguanosine 5'-(disodium phosphate), 902-04-5

Molecular Formula: C10H12N5Na2O7PMolecular Weight: 391.184881 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: CTPAMSRBXKGZCJ-UHFFFAOYSA-L

• 5,6,7,8-Tetrahydro-1-naphthol
IUPAC Name: 5,6,7,8-tetrahydronaphthalen-1-ol | CAS Registry Number: 529-35-1
Synonyms: 5-Hydroxytetralin, Tetrahydro-.alpha.-naphthol, T13404_ALDRICH, 1-Naphthalenol, 5,6,7,8-tetrahydro-, 1-Naphthol, 5,6,7,8-tetrahydro-, Tetrahydro-alpha-naphthol (VAN), 5,6,7,8-tetrahydronaphthalen-1-ol, NSC28822, EINECS 208-461-1, 5,6,7,8-Tetrahydro-alpha-naphthol, NSC 28822, ZINC03860772, 5,6,7,8-Tetrahydro-1-naphthalenol, 5,6,7,8-Tetrahydro-.alpha.-naphthol, 1-Naphthol, 5,6,7,8-tetrahydro- (8CI), 1-Naphthalenol, 5,6,7,8-tetrahydro- (9CI), TN1, InChI=1/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H

Molecular Formula: C10H12OMolecular Weight: 148.201680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SCWNNOCLLOHZIG-UHFFFAOYSA-N

• 2,3-dihydro-5-benzofuranacetic acid
IUPAC Name: 6-(trifluoromethyl)pyridine-3-carboximidamide;hydrochloride | CAS Registry Number: 221313-11-7
Synonyms: 6-(trifluoromethyl)nicotinamidine hydrochloride, 6-(Trifluoromethyl)pyridine-3-amidine hydrochloride, 6-(Trifluoromethyl)pyridine-3-carboxamidine hydrochloride, AC1MC3GE, Ambpe6000012, SureCN4394798, CTK7D1913, 6-(trifluoromethyl)pyridine-3-carboximidamide Hydrochloride, MolPort-000-159-135, SBB096876, AKOS015849489, AG-A-88528, RP05375, KB-83855, Y8324, 6-(trifluoromethyl)pyridine-3-amidinehydrochloride, 3S107544, 6-(Trifluoromethyl)nicotinamidine hydrochloride 99%, I02-4335

Molecular Formula: C7H7ClF3N3Molecular Weight: 225.598790 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: HUKUESHULWUKHP-UHFFFAOYSA-N

• 3-(2-Bromoethyl)indole
IUPAC Name: 3-(2-bromoethyl)-1H-indole | CAS Registry Number: 3389-21-7
Synonyms: 3-(2-Bromoethyl)-1H-indole, 376523_ALDRICH, ZINC00160295, CID76924, EINECS 222-219-2, ST5408943, B-8070

Molecular Formula: C10H10BrNMolecular Weight: 224.097100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NTLAICDKHHQUGC-UHFFFAOYSA-N

• 4-(Bromomethyl)benzoic acid ethyl ester
IUPAC Name: ethyl 4-(bromomethyl)benzoate | CAS Registry Number: 26496-94-6
Synonyms: Ethyl 4-(bromomethyl)benzoate, SBB063062, 4-Bromomethyl-benzoic acid ethyl ester, ZINC00559407, zlchem 925, ACMC-1CKNV, AC1LIH7F, SureCN245250, Ethyl 4-bromomethylbenzoate, Ethyl (4-Bromomethyl)benzoate, Jsp005201, 4-(Ethoxycarbonyl)benzyl bromide, CTK4F8012, ZLD0389, MolPort-001-001-146, ACT05732, ANW-64103, alpha-Bromo-4-(ethoxycarbonyl)toluene, AKOS000294915, AG-E-83464

Molecular Formula: C10H11BrO2Molecular Weight: 243.097140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: TWQLMAJROCNXEA-UHFFFAOYSA-N

• 2-(Acetyloxy)-3-Methylbenzoic Acid
IUPAC Name: 2-acetyloxy-3-methylbenzoic acid | CAS Registry Number: 4386-39-4
Synonyms: 2-Acetoxy-m-toluic acid, Spectrum_001374, Maybridge3_006075, Spectrum2_000555, Spectrum3_001816, Spectrum4_000260, Spectrum5_001737, BSPBio_003431, KBioGR_000700, KBioSS_001854, SPECTRUM1401414, SPBio_000629, KBio2_001854, KBio2_004422, KBio2_006990, KBio3_002934, AIDS018058, AIDS-018058, NSC49105, 2-(Acetyloxy)-3-methylbenzoic acid

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XRBMKGUDDJPAMH-UHFFFAOYSA-N

• 2-tert-Butyl-1,4-benzoquinone
IUPAC Name: 2-tert-butylcyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 3602-55-9
Synonyms: tert-Butylquinone, t-Butylquinone, tert-Butylbenzoquinone, tert-Butyl-p-quinone, 2-tert-Butyl quinone, tert-Butyl-p-benzoquinone, 2-tert-Butyl-p-quinone, 2-tert-Butyl-4-quinone, 2-tert-Butyl-p-benzoquinone, tert-Butyl-1,4-benzoquinone, CCRIS 1263, p-BENZOQUINONE, 2-tert-BUTYL-, 429074_ALDRICH, EINECS 222-757-8, NSC 124503, BRN 1860944, NSC124503, LS-40326, 2,5-Cyclohexadiene-1,4-dione, 2-(1,1-dimethylethyl)-, 2-(1,1-Dimethylethyl)-2,5-cyclohexadien-1,4-dione

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NCCTVAJNFXYWTM-UHFFFAOYSA-N

• 2,5-Dimethoxy Naphthalene
IUPAC Name: 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 3470-50-6
Synonyms: 6-Hydroxy-1-tetralone, 6-Hydroxy-3,4-dihydronaphthalen-1(2H)-one, 1-Tetralon-6-ol, 6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone, SBB066989, AG-F-19000, 6-hydroxy-2,3,4-trihydronaphthalen-1-one, 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one, 6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one, ZINC04108295, ACMC-1CSWP, AC1NF8AV, SureCN228128, KSC497M4H, 480576_ALDRICH, AC1Q797A, Jsp006283, CTK3J7643, MolPort-001-828-311, AKOS005258189

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FNSQPQKPPGALFA-UHFFFAOYSA-N

• 3',5'-Anhydrothymidine
IUPAC Name: 1-[(1S,3R,5R)-4,7-dioxabicyclo[3.2.0]heptan-3-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 38313-48-3
Synonyms: ZINC15657777, AK135243, P776, KB-179363

Molecular Formula: C10H12N2O4Molecular Weight: 224.213280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OAWLMYIJZBBZTP-XLPZGREQSA-N

• 4-n-Propoxybenzoic acid
IUPAC Name: 4-propoxybenzoic acid | CAS Registry Number: 5438-19-7
Synonyms: 4-Propoxybenzoic acid, p-Propoxybenzoic acid, Enamine_004326, Benzoic acid, p-propoxy-, Benzoic acid, 4-propoxy-, p-(n-Propoxy)benzoic acid, MLS000776293, 366390_ALDRICH, ARONIS010002, AIDS027806, AIDS-027806, ALBB-000777, NSC16632, CID138500, SBB006543, FR-1009, SMR000371296

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GDFUWFOCYZZGQU-UHFFFAOYSA-N

• (S)-3-Amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride
IUPAC Name: (3S)-3-amino-4-(2,4-dichlorophenyl)butanoic acid;hydrochloride | CAS Registry Number: 270063-47-3
Synonyms: (S)-3-AMINO-4-(2,4-DICHLOROPHENYL)BUTANOIC ACID HYDROCHLORIDE, AC1MC5ED, (S)-3-Amino-4-(2,4-dichloro-phenyl)-butyric acid-HCl, CTK1A1456, MolPort-003-794-119, (3S)-3-amino-4-(2,4-dichlorophenyl)butanoic Acid Hydrochloride, AKOS015948918, AG-E-85734, AK114857, KB-211419, TL8002164, (S)-3-Amino-4-(2,4-dichloro-phenyl)butyric acid hydrochloride, (3S)-3-Amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride;(3S)-3-Amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride (1:1);Benzenebutanoic acid, A'A|Afas-amino-2,4-dichloro-, (betaS)-, hydrochloride (1:1);(S)-3-Amino-4-(2,4-dichloro-phenyl)-butyric acid-HCl;TL8002164;

Molecular Formula: C10H12Cl3NO2Molecular Weight: 284.566780 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: JNGZEMBEPQATGG-QRPNPIFTSA-N

• 5-Amino-3-(4-methylphenyl)pyrazole
IUPAC Name: 5-(4-methylphenyl)-1H-pyrazol-3-amine | CAS Registry Number: 78597-54-3
Synonyms: 3-(4-methylphenyl)-1H-pyrazol-5-amine, 5-p-Tolyl-2H-pyrazol-3-ylamine, 3-Amino-5-p-Tolylpyrazole, 3-Amino-5-(4-methylphenyl)-1H-pyrazole, 5-(4-methylphenyl)-1h-pyrazol-3-amine, 3-p-tolyl-1h-pyrazol-5-amine, SBB017973, 895042-38-3, BAS 00705173, 151293-15-1, 3-(4-methylphenyl)pyrazole-5-ylamine, AC1LEIUX, PubChem12117, SMR000116934, ACMC-209peq, AC1Q4XSC, ChemDiv3_009986, SureCN1143959, SureCN1662946, MLS000526460

Molecular Formula: C10H11N3Molecular Weight: 173.214440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GVPFRVKDBZWRCZ-UHFFFAOYSA-N

• (S)-3-Amino-3-(3,4-difluorophenyl)butanoic acid hydrochloride
IUPAC Name: (3S)-3-amino-4-(3,4-difluorophenyl)butanoic acid;hydrochloride | CAS Registry Number: 270063-53-1
Synonyms: (S)-3-AMINO-4-(3,4-DIFLUOROPHENYL)BUTANOIC ACID HYDROCHLORIDE, (S)-3-Amino-4-(3,4-difluoro-phenyl)-butyric acid-HCl, 332061-67-3, AC1MC5F1, CTK1A1453, MolPort-003-794-131, (3S)-3-amino-4-(3,4-difluorophenyl)butanoic Acid Hydrochloride, VC30329, AK119242, KB-211426, RT-008192, TL8002166, 3,4-Difluoro-L-beta-homophenylalanine hydrochloride, I01-9268, (S)-3-Amino-4-(3,4-difluorophenyl)butyric acid hydrochloride

Molecular Formula: C10H12ClF2NO2Molecular Weight: 251.657586 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: OWXYSJXKMBDHAS-FJXQXJEOSA-N

• 1-Acetyl-5-amino-2,3-dihydro-1H-indole
IUPAC Name: 1-(5-amino-2,3-dihydroindol-1-yl)ethanone | CAS Registry Number: 4993-96-8
Synonyms: 1-acetylindolin-5-amine, 1-Acetyl-5-aminoindoline, Oprea1_842763, NSC158317, ALBB-009264, CID292507, SBB010097, ZINC00080838, BAS 00146976, 1-Acetyl-2,3-dihydro-1H-indol-5-ylamine, 1-(5-Amino-2,3-dihydro-indol-1-yl)-ethanone

Molecular Formula: C10H12N2OMolecular Weight: 176.215080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WSDUFDGEYKOQRT-UHFFFAOYSA-N

• 2-(4-Chlorophenoxy)-2-methylpropanoyl chloride
IUPAC Name: 2-(4-chlorophenoxy)-2-methylpropanoyl chloride | CAS Registry Number: 5542-60-9
Synonyms: 2-(4-chlorophenoxy)-2-methylpropanoyl chloride, AG-F-93724, AC1MCZRI, AC1Q1NP2, CTK5A3580, MolPort-000-145-470, ANW-47069, BBL014155, SBB050677, ZINC02582020, AKOS000297239, MCULE-4622748533, AK-49903, BR-49903, EN002328, KB-14816, BB 0244891, FT-0608610, W6944, 2-(4-Chloro-phenoxy)-2-methyl-propionyl chloride

Molecular Formula: C10H10Cl2O2Molecular Weight: 233.091200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OODRWLGKUBMFLZ-UHFFFAOYSA-N

• 4-Formylphenyl propionate
IUPAC Name: (4-formylphenyl) propanoate | CAS Registry Number: 50262-48-1
Synonyms: p-Propionoxybenzaldehyde, 4-n-Propionyloxybenzaldehyde, 4-Propionyloxybenzaldehyde, Benzaldehyde, 4-(1-oxopropoxy)-, ALBB-001395, SBB008232, ZINC02168716, FR-1091, AI3-32040

Molecular Formula: C10H10O3Molecular Weight: 178.184600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NKXPJXVTMWLHBC-UHFFFAOYSA-N

• 4-Aminodiphenylamine sulfate
IUPAC Name: 1-N-phenylbenzene-1,4-diamine; sulfuric acid | CAS Registry Number: 4698-29-7
Synonyms: p-Aminodiphenylamine sulfate, N-Phenyl-p-phenylenediamine sulfate, EINECS 225-173-1, N-Phenyl-1,4-benzenediamine sulfate, Bis(N-phenylbenzene-p-diamine) sulphate, N-Phenyl-p-phenylenediamine, hemisulfate, 1,4-Benzenediamine, N-phenyl-, sulfate (2:1), 101-54-2

Molecular Formula: C24H26N4O4SMolecular Weight: 466.552640 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: ZRFXOEFNFAPWJA-UHFFFAOYSA-N

• 4-Phenoxybutyric acid
IUPAC Name: 4-(phenoxy)butanoic acid | CAS Registry Number: 6303-58-8
Synonyms: Butyric acid, 4-phenoxy-, gamma-Phenoxybutyric acid, Butanoic acid, 4-phenoxy-, 4-Phenoxybutanoic acid, 4-PHENOXYBUTYRIC ACID, .gamma.-Phenoxybutyric acid, 77720_FLUKA, EINECS 228-603-6, NSC 43294, NSC 64178, Butanoic acid, 4-phenoxy- (9CI), NSC43294, NSC64178, BRN 1640610, SBB015389, LS-48143, 4-06-00-00645 (Beilstein Handbook Reference), 38669-42-0

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YKYVPFIBWVQZCE-UHFFFAOYSA-N

• 5,7-Dimethyl[1,8]naphthyridin-2-amine
IUPAC Name: 5,7-dimethyl-1,8-naphthyridin-2-amine | CAS Registry Number: 39565-07-6
Synonyms: Maybridge1_004724, EINECS 254-516-8, NSC118392, ZINC00096070, BAS 09627561, 5,7-Dimethyl-1,8-naphthyridin-2-ylamine, 5,7-Dimethyl[1,8]naphthyridin-2-ylamine, 1,8-Naphthyridin-2-amine, 5,7-dimethyl-, 5,7-Dimethyl-[1,8]naphthyridin-2-ylamine, ST5211851, (5,7-dimethyl-1,8-naphthyridin-2-yl)amine, 1,8-Naphthyridine, 7-amino-2,4-dimethyl-, EU-0014044, AE-848/01238037

Molecular Formula: C10H11N3Molecular Weight: 173.214440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BOSVHBKQNJZNHK-UHFFFAOYSA-N

• [4-(1H-Pyrazol-1-yl)phenyl]methanol
IUPAC Name: (4-pyrazol-1-ylphenyl)methanol | CAS Registry Number: 143426-49-7
Synonyms: ZINC00158884, CA-0710, CID2776480, SDCCGMLS-0066005.P001

Molecular Formula: C10H10N2OMolecular Weight: 174.199200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MMGMLIHSHFKRDK-UHFFFAOYSA-N

• (S)-3-Amino-4-(3-fluorophenyl)butanoic acid hydrochloride
IUPAC Name: (3S)-3-amino-4-(3-fluorophenyl)butanoic acid;hydrochloride | CAS Registry Number: 270596-50-4
Synonyms: (S)-3-AMINO-4-(3-FLUOROPHENYL)BUTANOIC ACID HYDROCHLORIDE, AC1MC59P, (s)-3-amino-4-(3-fluorophenyl)butyric acid hydrochloride, CTK8E9391, MolPort-003-794-041, (3S)-3-amino-4-(3-fluorophenyl)butanoic Acid Hydrochloride, SBB063718, AKOS015889637, AK114885, KB-211430, TL8002185, 3-Fluoro-L-beta-homophenylalanine hydrochloride, (S)-3-Amino-4-(3-fluoro-phenyl)-butyric acid-HCl

Molecular Formula: C10H13ClFNO2Molecular Weight: 233.667123 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: HLJRPTAKNOUJAW-FVGYRXGTSA-N


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