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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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• 4-Isopropoxybenzaldehyde
IUPAC Name: 4-propan-2-yloxybenzaldehyde | CAS Registry Number: 18962-05-5
Synonyms: NSC69072, ALBB-001159, CID250077, ZINC00162811, TL8001543, A3424/0145262

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

InChIKey: WDANSDASCKBVKH-UHFFFAOYSA-N

• 8-Hydroxyquinoline hemisulfate salt hemihydrate
IUPAC Name: quinolin-8-ol;sulfuric acid;hydrate | CAS Registry Number: 207386-91-2
Synonyms: 8-Quinolinol hemisulfate, 8-Quinolinol hemisulfate hemihydrate, 8-Quinolinol sulfate (2:1) monohydrate, AC1MC3NR, 108073_ALDRICH, CTK1A1768, AKOS015963177, quinolin-8-ol; sulfuric acid; hydrate, AG-E-52122, AC-19824, 8-Quinolinol, sulfate, hydrate (2:1:1), 8-Hydroxyquinoline sulfate 1-hydrate;8-Quinolinol hemisulfate hemihydrate;Oxine sulfate;

Molecular Formula: C18H18N2O7SMolecular Weight: 406.409720 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: BNCXJZDIJIVJJO-UHFFFAOYSA-N

• (S)-3-Amino-4-(2-fluorophenyl)butanoic acid hydrochloride
IUPAC Name: (3S)-3-amino-4-(2-fluorophenyl)butanoic acid;hydrochloride | CAS Registry Number: 246876-92-6
Synonyms: (S)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOIC ACID HYDROCHLORIDE, AC1MC59D, (S)-3-Amino-4-(2-fluorophenyl)butyric acid hydrochloride, Ho^DPEmpbHdLBTTRQfTxXBBjXb\@, CTK8E9394, MolPort-003-794-035, SBB064585, AKOS015890231, AK114800, KB-211423, 2-Fluoro-L-beta-homophenylalanine hydrochloride, I01-5181, (3S)-3-amino-4-(2-fluorophenyl)butanoic acid hydrochloride

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

InChIKey: JZQZLHARRLTFJX-QRPNPIFTSA-N

• 6-(1-Pyrrolidinyl)nicotinaldehyde
IUPAC Name: 6-pyrrolidin-1-ylpyridine-3-carbaldehyde | CAS Registry Number: 261715-39-3
Synonyms: 6-(1-PYRROLIDINYL)NICOTINALDEHYDE, 6-(pyrrolidin-1-yl)nicotinaldehyde, 6-(Pyrrolidin-1-yl)pyridine-3-carboxaldehyde, 6-(pyrrolidin-1-yl)pyridine-3-carbaldehyde, SBB052251, AG-E-81630, 6-PYRROLIDIN-1-YLNICOTINALDEHYDE, 6-(1-Pyrrolidino)pyridine-3-carboxaldehyde, 6-pyrrolidinylpyridine-3-carbaldehyde, AC1MDRVB, 6-pyrrolidin-1-ylpyridine-3-carbaldehyde, ACMC-1CG5Q, CTK4F7232, MolPort-000-145-204, ANW-66547, ZINC19850829, AKOS006228615, AB23069, MCULE-9646836882, RP23799

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

InChIKey: FFFAXGTZBUMKTI-UHFFFAOYSA-N

• 6-Morpholin-4-yl-pyridine-3-carbaldehyde
IUPAC Name: 6-morpholin-4-ylpyridine-3-carbaldehyde | CAS Registry Number: 173282-60-5
Synonyms: 6-Morpholinonicotinaldehyde, 6-morpholin-4-ylpyridine-3-carbaldehyde, 6-Morpholin-4-ylnicotinaldehyde, SBB052240, 6-(Morpholin-4-yl)pyridine-3-carboxaldehyde, AC1MCQZO, AC1Q6PTQ, CTK4D4575, MolPort-000-005-032, 6-(Morpholin-4-yl)nicotinaldehyde, ANW-74779, ZINC19851673, AKOS005070455, AB15699, AG-E-22774, RP03843, AK-28888, KB-45828, 6-(4-morpholinyl)-3-pyridinecarboxaldehyde, 6-(morpholin-4-yl)pyridine-3-carbaldehyde

Molecular Formula: C10H12N2O2Molecular Weight: 192.214480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VZEANTSDLFVWCK-UHFFFAOYSA-N

• 4-(N-Cyclopropylaminocarbonyl)phenylboronic acid
IUPAC Name: [4-(cyclopropylcarbamoyl)phenyl]boronic acid | CAS Registry Number: 515140-26-8
Synonyms: BM408

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

InChIKey: WCRPDYXXIVYAAJ-UHFFFAOYSA-N

• 2,3-Dimethylanisaldehyde
IUPAC Name: 4-methoxy-2,3-dimethylbenzaldehyde | CAS Registry Number: 38998-17-3
Synonyms: 2,3-Dimethyl-p-anisaldehyde, 152013_ALDRICH, 2,3-Dimethyl-para-anisaldehyde, 39551_FLUKA, ZINC02140937, 2,3-Dimethyl-4-methoxybenzaldehyde, EINECS 254-241-3, CID596058, Benzaldehyde, 4-methoxy-2,3-dimethyl-, InChI=1/C10H12O2/c1-7-8(2)10(12-3)5-4-9(7)6-11/h4-6H,1-3H

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

InChIKey: MAFDJCNDRCNZFM-UHFFFAOYSA-N

• 3,5-Dimethyl Phenyl Acetonitrile
IUPAC Name: 2-(3,5-dimethylphenyl)acetonitrile | CAS Registry Number: 39101-54-7
Synonyms: (3,5-Dimethylphenyl)acetonitrile, 3,5-Dimethylphenylacetonitrile, Benzeneacetonitrile, 3,5-dimethyl-, ZINC02528063, EINECS 254-292-1, CID123481, A4103/0174930

Molecular Formula: C10H11NMolecular Weight: 145.201040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LMUKNQSVBFEUKR-UHFFFAOYSA-N

• 2',6'-Dimethoxyacetophenone
IUPAC Name: 1-(2,6-dimethoxyphenyl)ethanone | CAS Registry Number: 2040-04-2
Synonyms: 2,6-Dimethoxyacetophenone, 1-(2,6-DIMETHOXYPHENYL)ETHANONE, USAF K-2801, Acetophenone, 2',6'-dimethoxy-, 300748_ALDRICH, AIDS017985, EINECS 218-034-1, 1-(2,6-Dimethoxyphenyl)ethan-1-one, AIDS-017985, ALBB-006380, CID16267, BRN 2048976, ZINC00330167, Ethanone, 1-(2,6-dimethoxyphenyl)-, LS-13510, ST5331350, Ethanone, 1-(2,6-dimethoxyphenyl)- (9CI), 4-08-00-01811 (Beilstein Handbook Reference), AB-131/40897142

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XEUGKOFTNAYMMX-UHFFFAOYSA-N

• 5-Oxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylic acid
IUPAC Name: 5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid | CAS Registry Number: 175136-92-2
Synonyms: 5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid, SMR000036837, AC1LD9CW, Maybridge1_003341, AC1Q74PJ, SureCN2449353, Oprea1_047153, MLS000030408, STOCK3S-91973, CTK0H3445, HMS550P19, MolPort-000-144-305, HMS2443A14, CCG-48771, SBB045188, STK553787, AKOS000275363, AG-C-07157, MCULE-7605407320, SDCCGMLS-0001214.P002

Molecular Formula: C10H11NO3SMolecular Weight: 225.264240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HNEDKCTVOYJYQI-UHFFFAOYSA-N

• 2-(4-Morpholinyl)-pyridine-4-carboxylic acid
IUPAC Name: 2-morpholin-4-ylpyridine-4-carboxylic acid | CAS Registry Number: 295349-64-3
Synonyms: 2-morpholin-4-ylisonicotinic acid, 2-Morpholin-4-yl-isonicotinic acid, ALBB-005463, ZERO/009231, ZINC02524958, BAS 07756286

Molecular Formula: C10H12N2O3Molecular Weight: 208.213880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: OVOIVNZYILYGKU-UHFFFAOYSA-N

• 1-Aminoindan-1-Carboxylic Acid
IUPAC Name: 1-amino-2,3-dihydroindene-1-carboxylic acid | CAS Registry Number: 3927-71-7
Synonyms: 1-Aminoindan-1-carboxylic acid, NSC32833, AKE-BBV-089609, MolPort-000-000-519, CID233810, BBV-089609, A50023

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

InChIKey: HTTPGMNPPMMMOP-UHFFFAOYSA-N

• 2-Allyloxybenzaldehyde
IUPAC Name: 2-prop-2-enoxybenzaldehyde | CAS Registry Number: 28752-82-1
Synonyms: o-Allyloxybenzaldehyde, o-(Allyloxy)benzaldehyde, 2-(Allyloxy)benzaldehyde, Benzaldehyde, o-(allyloxy)-, Benzaldehyde, 2-(2-propenyloxy)-, 445509_ALDRICH, ALBB-003538, EINECS 249-198-2, NSC406724, SBB007636, ZINC01599402, FR-0009, AI3-05767

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

InChIKey: BXCJDECTRRMSCV-UHFFFAOYSA-N

• 4-Succinamidophenylboronic acid
IUPAC Name: 4-(4-boronoanilino)-4-oxobutanoic acid | CAS Registry Number: 480424-95-1
Synonyms: 578754_ALDRICH, BM085, N-(4-Phenylboronic)succinamic acid

Molecular Formula: C10H12BNO5Molecular Weight: 237.016980 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: VYUCUZOJUHAJLU-UHFFFAOYSA-N

• 1-Fmoc-(S)-azetidine-2-carboxylic acid
IUPAC Name: (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2-carboxylate | CAS Registry Number: 136552-06-2
Synonyms: ZINC02379448, CID7009094

Molecular Formula: C19H16NO4-Molecular Weight: 322.334640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BXRZCDISGRVJCA-KRWDZBQOSA-M

• 3-Methoxy-4-Methylphenylacetonitrile
IUPAC Name: 2-(3-methoxy-4-methylphenyl)acetonitrile | CAS Registry Number: 64829-31-8
Synonyms: NSC148961, CID288219, ZINC01734342, BBV-27025844

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

InChIKey: KRGXHARSWLJCGO-UHFFFAOYSA-N

• 2',5'-Dimethylacetophenone
IUPAC Name: 1-(2,5-dimethylphenyl)ethanone | CAS Registry Number: 2142-73-6
Synonyms: 2,5-Dimethylacetophenone, Acetophenone, 2',5'-dimethyl-, Ethanone, 1-(2,5-dimethylphenyl)-, NSC6325, 454265_ALDRICH, CID75061, NSC 6325, EINECS 218-399-7, ZINC01693403, 1-(2,5-Dimethylphenyl)ethan-1-one, Acetophenone, 2',5'-dimethyl- (8CI), AI3-01857, ST5331352, InChI=1/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H

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

InChIKey: AWKBVLVKQQRRFQ-UHFFFAOYSA-N

• 7-apca
IUPAC Name: (6R,7R)-7-amino-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 120709-09-3
Synonyms: CTK0H2639, CTK0H4930, (6R,7R)-7-Amino-8-oxo-3-(prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 106447-44-3, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-(1-propen-1-yl)-, (6R,7R)-, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-(1Z)-1-propen-1-yl-, (6R,7R)-, AG-D-20849, AG-D-45181, KB-209054, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-(1-propenyl)-, (6R,7R)- (9CI);7 APCA;, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-(1-propenyl)-, [6R-[3(Z),6a,7b]]-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-8-oxo-3-(1Z)-1-propenyl-, (6R,7R)- (9CI)

Molecular Formula: C10H12N2O3SMolecular Weight: 240.278880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZYLDQHILNOZKIF-HZGVNTEJSA-N

• 1,4-Diacetylbenzene
IUPAC Name: 1-(4-acetylphenyl)ethanone | CAS Registry Number: 1009-61-6
Synonyms: p-Diacetylbenzene, p-Acetylacetophenone, Benzene, p-diacetyl-, p-ACETYL ACETOPHENONE, D8208_ALDRICH, Benzene, p-diacetyl- (8CI), Ethanone, 1,1'-(1,4-phenylene)bis-, 1,1'-(1,4-phenylene)diethanone, 1,1-(1,4-Phenylene)bis-ethanone, EINECS 213-769-4, NSC295548, SBB008588, ZINC02026195, FR-2298, NSC 295548, 1,1'-(1,4-PHENYLENE)BISETHANONE, InChI=1/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H

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

InChIKey: SKBBQSLSGRSQAJ-UHFFFAOYSA-N

• (2R,3r)-Tartranilic Acid
IUPAC Name: (2R,3R)-4-anilino-2,3-dihydroxy-4-oxobutanoic acid | CAS Registry Number: 3019-58-7
Synonyms: (2R,3R)-Tartranilic Acid, (2R,3R)-Tartranilic Acid [for optical resolution], (2R,3R)-TartranilicAcid, PubChem8106, SureCN14715852, CTK8B3798, ANW-43211, SBB064737, AKOS000277299, AKOS015890174, AG-E-98994, T1702, I01-5572, (2R,3R)-2,3-Dihydroxy-3-(phenylcarbamoyl)propionic Acid, Butanoicacid, 2,3-dihydroxy-4-oxo-4-(phenylamino)-, [R-(R*,R*)]-; Tartranilic acid(8CI); (R,R)-Tartranilic acid

Molecular Formula: C10H11NO5Molecular Weight: 225.198040 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: ZWXNRJCDXZFNLJ-HTQZYQBOSA-N

• 5-aminoquinaldine
IUPAC Name: 2-methylquinolin-5-amine | CAS Registry Number: 54408-50-3
Synonyms: 2-Methyl-5-quinolinamine, 2-Methyl-quinolin-5-ylamine, 5-Quinolinamine, 2-methyl-, ZINC00171344, BAS 12229863, ST5160347

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

InChIKey: UNSLQFMTPYHZDA-UHFFFAOYSA-N

• 4'-Ethoxyphenyl acetylene
IUPAC Name: 1-ethoxy-4-ethynylbenzene | CAS Registry Number: 79887-14-2
Synonyms: 4-ethoxyphenylacetylene, 1-ethoxy-4-ethynylbenzene, 1-ethoxy-4-ethynyl-benzene, 4'-Ethoxyphenylacetylene, 1-ethoxy-4-eth-1-ynylbenzene, SBB064838, AG-H-20196, ZINC02555802, p-ethoxyethynylbenzene, AC1MCPZY, 4-ethoxy phenyl acetylene, 1-ethynyl-4-ethoxybenzene, ACMC-20a2h1, 4-ethoxy-1-ethynyl-benzene, KSC493G5N, CTK3J3356, MolPort-001-761-972, ANW-54131, AKOS005146064, MCULE-2336333020

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

InChIKey: FRGNOZUOTHMJSC-UHFFFAOYSA-N

• 6-Methylchromanone
IUPAC Name: 6-methyl-2,3-dihydrochromen-4-one | CAS Registry Number: 39513-75-2
Synonyms: 6-Methyl-4-chromanone, 6-methylchroman-4-one, 6-Methyl-2,3-dihydro-4H-chromen-4-one, SBB063797, AC1LBKMY, PubChem17932, ACMC-1CTTD, AC1Q2OBE, AC1Q6DTO, SureCN68886, 156728_ALDRICH, MolPort-001-793-702, 6-methyl-2,3-dihydrochromen-4-one, ANW-29111, AR-1H2147, STL301228, ZINC12462557, AKOS005146435, MCULE-3241722945, AK-50834

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

InChIKey: RJHXEPLSJAVTFW-UHFFFAOYSA-N

• (R)-(-)-Phenylsuccinic Acid
IUPAC Name: (2R)-2-phenylbutanedioic acid | CAS Registry Number: 46292-93-7
Synonyms: (R)-(-)-Phenylsuccinic acid, (2r)-2-phenylsuccinic acid, (R)-2-Phenyl succinic acid, AC1LEHGO, (R)-phenylsuccinic acid, AC1Q5QIB, SureCN377609, 78172_ALDRICH, Ambap4036-30-0, (2R)-2-phenylbutanedioic acid, 78172_FLUKA, CTK4I9297, (R)-2-PHENYLSUCCINICACID, MolPort-003-939-043, KST-1A4944, ACT09742, AR-1A2717, Butanedioic acid,2-phenyl-, (2R)-, AKOS006239803, AG-F-59364

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LVFFZQQWIZURIO-MRVPVSSYSA-N

• 4-p-Tolyl thiazol-2-ylamine
IUPAC Name: 4-(4-methylphenyl)-1,3-thiazol-2-amine | CAS Registry Number: 2103-91-5
Synonyms: ChemDiv2_001239, Oprea1_047888, Oprea1_117699, 4-p-Tolyl-thiazol-2-ylamine, 534161_ALDRICH, ARONIS018863, 2-Amino-4-(p-tolyl)-thiazole, TOS-BB-1077, ZERO/000246, Thiazole, 2-amino-4-(p-tolyl)-, ALBB-000389, NSC54436, 4-(4-Methylphenyl)-2-thiazolamine, CID244066, ZINC00035879, ZINC00038083, 4-(4-methylphenyl)-1,3-thiazol-2-amine, BAS 05261426, EU-0079653, SR-01000596924-2

Molecular Formula: C10H10N2SMolecular Weight: 190.264800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ARLHWYFAPHJCJT-UHFFFAOYSA-N

• 4-tert-Butyl-1-chloro-2-nitrobenzene
IUPAC Name: 4-tert-butyl-1-chloro-2-nitrobenzene | CAS Registry Number: 58574-05-3
Synonyms: 1-tert-butyl-3-nitro-4-chlorobenzene, 1-tert-butyl-3-nitro-4-chloro benzene, PubChem4316, AGN-PC-00ITRN, SureCN1104675, KSC608K4N, CTK5A8546, MolPort-003-984-660, 4-Chloro-3-nitro-tert-butylbenzene, ACT12678, ANW-61684, SBB063678, ZINC21992134, AKOS015889693, AC-6122, AG-G-07397, AK-35760, I127, KB-40445, FT-0640538

Molecular Formula: C10H12ClNO2Molecular Weight: 213.660780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AGZGOTUKAZSIIO-UHFFFAOYSA-N

• 6-Morpholinonicotinoyl Chloride
IUPAC Name: 6-morpholin-4-ylpyridine-3-carbonyl chloride | CAS Registry Number: 313350-36-6
Synonyms: 6-morpholin-4-ylpyridine-3-carbonyl Chloride, 6-(Morpholin-4-yl)nicotinoyl chloride, AC1MCQZM, AC1Q3G6U, CTK1C1831, MolPort-000-142-558, SBB097042, ZINC19851668, AG-A-90645, CC17502, BL009078, BP-10027, KB-84663, FT-0082430, FT-0621259, 4-[5-(Chlorocarbonyl)pyridin-2-yl]morpholine, 3-(Chlorocarbonyl)-6-(morpholin-4-yl)pyridine, 6-(4-morpholinyl)-3-pyridinecarbonyl chloride, 3-Pyridinecarbonylchloride, 6-(4-morpholinyl)-, 6-(Morpholin-4-yl)pyridine-3-carbonyl chloride

Molecular Formula: C10H11ClN2O2Molecular Weight: 226.659540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CUYODHVYKUWKCO-UHFFFAOYSA-N

• 5-Hydroxy-2-tetralone
IUPAC Name: 5-hydroxy-3,4-dihydro-1H-naphthalen-2-one | CAS Registry Number: 35697-10-0
Synonyms: 5-Hydroxy-3,4-dihydronaphthalen-2(1H)-one, 5-hydroxy-3,4-dihydro-1H-naphthalen-2-one, AC1NNX9G, SureCN266203, 5-HYDROXYL-2-TETRALONE, Jsp006414, CTK4H5187, MolPort-000-139-982, ANW-50838, WTI-10067, ZINC30678464, AKOS006295145, AG-F-23910, MB03115, AK-26087, BR-26087, KB-73532, AB1008054, FT-0645258, ST51054336

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

InChIKey: SPOWVZSMEMISBG-UHFFFAOYSA-N

• 1-Phenyl-3-Methyl-5-Aminopyrazole (PMAP)
IUPAC Name: 5-methyl-2-phenylpyrazol-3-amine | CAS Registry Number: 1131-18-6
Synonyms: Maybridge1_002345, 1-Phenyl-3-methyl-5-aminopyrazole, 5-Amino-3-methyl-1-phenylpyrazole, MLS000104498, DivK1c_001097, 541001_ALDRICH, 3-Methyl-1-phenylpyrazol-5-ylamine, EINECS 214-463-3, 1H-Pyrazol-5-amine, 3-methyl-1-phenyl-, CID70801, BRN 0140666, CDS1_000057, Pyrazole, 5-amino-3-methyl-1-phenyl-, SBB003817, SDCCGMLS-0046251.P002, 1H-Pyrazole-5-amine, 3-methyl-1-phenyl-, SMR000054433, LS-127995, 5-25-09-00466 (Beilstein Handbook Reference)

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

InChIKey: FMKMKBLHMONXJM-UHFFFAOYSA-N

• 2-Morpholin-4-yl-pyridine-3-carbaldehyde
IUPAC Name: 2-morpholin-4-ylpyridine-3-carbaldehyde | CAS Registry Number: 465514-09-4
Synonyms: 2-Morpholinonicotinaldehyde, 2-morpholin-4-ylpyridine-3-carbaldehyde, 2-MORPHOLIN-4-YL-PYRIDINE-3-CARBALDEHYDE, F9995-1195, AC1MCR2G, 2-morpholin-4-ylnicotinaldehyde, CTK4I9445, MolPort-000-142-735, SBB091435, ZINC19851688, 2-Morpholinopyridine-3-carboxaldehyde, AKOS005070067, AG-F-59768, MCULE-6966379469, RP03846, BP-10861, KB-69082, 2-Morpholin-4-ylpyridine-3-carboxaldehyde, 2-(morpholin-4-yl)pyridine-3-carbaldehyde, 3-Pyridinecarboxaldehyde,2-(4-morpholinyl)-

Molecular Formula: C10H12N2O2Molecular Weight: 192.214480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CCPVZIBHRFCNTR-UHFFFAOYSA-N

• 6-Methoxy-3,4-Dihydro-2(1h)-Quinolinone
IUPAC Name: 6-methoxy-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 54197-64-7
Synonyms: 6-methoxy-3,4-dihydro-1H-quinolin-2-one, 6-Methoxy-3,4-dihydro-2(1H)-quinolinone, 6-methoxy-3,4-dihydroquinolin-2(1H)-one, 6-Methoxy-2-oxo-1,2,3,4-tetrahydroquiniline, 2(1H)-QUINOLINONE, 3,4-DIHYDRO-6-METHOXY-, AGN-PC-0CYPLE, SureCN1764375, CHEMBL102738, CTK4J9958, MolPort-001-770-973, ANW-73705, OR9941, ZINC03880893, AKOS006344957, AC-6189, AG-F-87437, MB02321, 6-methoxy-3,4-dihydro-2(1h)quinolinone, AK-30530, AM807256

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XHKXYVRULOMTOW-UHFFFAOYSA-N

• 2,4,6-Trimethylphenyl Isocyanate
IUPAC Name: 2-isocyanato-1,3,5-trimethylbenzene | CAS Registry Number: 2958-62-5
Synonyms: 2,4,6-Trimethylphenyl isocyanate, 2-Isocyanato-1,3,5-trimethyl-benzene, ST50824809, Mesityl isocyanate, ACMC-1CKNS, AC1LC6K9, 478784_ALDRICH, AC1Q2I00, 2,4,6-trimethylbenzenisocyanate, CTK3J5799, GEO-02422, ZINC02566253, 2-Isocyanato-1,3,5-trimethylbenzene, AKOS000197555, AG-E-96418, MCULE-8994867174, KB-17222, FT-0609906, I14-48099, Isocyanicacid, mesityl ester (6CI,7CI,8CI); 1-Isocyanato-2,4,6-trimethyl-benzene;2,4,6-Trimethylphenyl isocyanate; Mesityl isocyanate

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

InChIKey: HJHZRZFONUPQAA-UHFFFAOYSA-N

• 3,5-Dimethyl-4-methoxybenzoic acid
IUPAC Name: 4-methoxy-3,5-dimethylbenzoic acid | CAS Registry Number: 21553-46-8
Synonyms: 3,5-Dimethyl-p-anisic acid, 638692_ALDRICH, EINECS 244-441-9, ST5308341

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

InChIKey: WXVQURJGDUNJCS-UHFFFAOYSA-N

• 4,5-Dimethoxy-2-nitrophenylacetic acid
IUPAC Name: 2-(4,5-dimethoxy-2-nitrophenyl)acetic acid | CAS Registry Number: 73357-18-3
Synonyms: Maybridge1_002500, CBMicro_008990, Oprea1_699681, MLS000779016, DivK1c_001252, NSC636871, AIDS136008, AIDS-136008, NSC114123, CDS1_000212, NCI60_012238, SMR000415770, BIM-0009233.P001, ST5109113, (4,5-Dimethoxy-2-nitro-phenyl)-acetic acid, SR-01000634345-1, (2-(Hydroxy(oxido)amino)-4,5-dimethoxyphenyl)acetic acid

Molecular Formula: C10H11NO6Molecular Weight: 241.197440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: WJPMJFUEMVXUCV-UHFFFAOYSA-N

• 5,6,7,8-Tetrahydro-2-naphthol
IUPAC Name: 5,6,7,8-tetrahydronaphthalen-2-ol | CAS Registry Number: 1125-78-6
Synonyms: Tetralol, 6-Tetralinol, 6-Hydroxytetralin, ac-beta-Tetralol, Tetrahydro-.beta.-naphthol, 2-Naphthalenol, 5,6,7,8-tetrahydro-, NCIOpen2_000029, CCRIS 717, 180459_ALDRICH, 2-NAPHTHOL, 5,6,7,8-TETRAHYDRO-, 5,6,7,8-Tetrahydro-beta-naphthol, EINECS 214-410-4, NSC 65604, 5,6,7,8-Tetrahydro-2-hydroxynaphthalene, CID14305, NSC65604, 5,6,7,8-tetrahydronaphthalen-2-ol, BTB 10211, ZINC03861315, 5,6,7,8-Tetrahydro-2-naphthalenol

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

InChIKey: UMKXSOXZAXIOPJ-UHFFFAOYSA-N

• 3-(Benzyloxy)propionitrile
IUPAC Name: 3-(phenylmethoxy)propanenitrile | CAS Registry Number: 6328-48-9
Synonyms: 3-(Benzyloxy)propiononitrile, Propanenitrile, 3-(phenylmethoxy)-, NSC43693, EINECS 228-698-4, NSC 43693, BBV-061710

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

InChIKey: IOFHIWGGQITXMV-UHFFFAOYSA-N

• 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
IUPAC Name: 3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one | CAS Registry Number: 86499-96-9
Synonyms: 3-bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, 3-Bromo-2,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one, 3-Bromo-1,3,4,5-tetrahydro-benzo[b]azepin-2-one, 3-Bromo-2,3,4,5-tetrahydro-2-OXO-1H-1-benzazepine, 3-bromo-2,3,4,5-trtrahydro-2h-1-benzazepine-2-one, 3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one, 3-bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one, 3-bromo-1,3,4,5-tetrahydro-2h-1-benzazepine-2-one, a-bromobenzocaprolactam, PubChem22344, AC1MBVA4, ACMC-209q9z, alpha-bromobenzo-caprolactam, SureCN2214341, KSC876E0F, CTK7H6202, MolPort-000-002-055, BB_SC-3269, ANW-38325, BBL010024

Molecular Formula: C10H10BrNOMolecular Weight: 240.096500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JMXPGCGROVEPID-UHFFFAOYSA-N

• 4-(1H-Pyrrol-1-yl)aniline
IUPAC Name: 4-pyrrol-1-ylaniline | CAS Registry Number: 52768-17-9
Synonyms: ZINC00159039, 4-pyrrolylphenylamine, 4-pyrrol-1-ylaniline, AC1MDTEX, 4-Pyrrol-1-yl-aniline, 4-(pyrrol-1-yl)aniline, SureCN296099, MolPort-000-142-760, ANW-56104, BBL009666, SBB076582, STL141016, AKOS000345098, AC-7271, AG-L-63872, CC25514, MCULE-5668369673, RP02028, SDCCGMLS-0066061.P001, AK-35497

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

InChIKey: NHLHWHRXMZZWGA-UHFFFAOYSA-N

• 3,5-Dimethyl-4-hydroxyacetophenone
IUPAC Name: 1-(4-hydroxy-3,5-dimethylphenyl)ethanone | CAS Registry Number: 5325-04-2
Synonyms: Ambap3729, NSC109, 546402_ALDRICH, CID36581, 4'-Hydroxy-3',5'-dimethylacetophenone, 4'-HYDROXY-3',5'-DIMETHYL-ACETOPHENONE

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

InChIKey: MUWPKXVVEOGKNO-UHFFFAOYSA-N

• 3-(4-Chlorophenylthio)Butyric Acid
IUPAC Name: (3R)-3-(4-chlorophenyl)sulfanylbutanoate | CAS Registry Number: 90919-34-9
Synonyms: ZINC05211630, CID7557534

Molecular Formula: C10H10ClO2S-Molecular Weight: 229.703200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DSCJEDOCSCNYAI-SSDOTTSWSA-M

• 7-TMCA
IUPAC Name: 7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 24209-38-9
Synonyms: CID91136, EINECS 246-078-1, BAS 06290984, ST5303547, TL8001992, (6R-trans)-7-Amino-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-trans)-

Molecular Formula: C10H12N6O3S2Molecular Weight: 328.370680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: XUTQHTOXGKVJPN-UHFFFAOYSA-N

• 5-Acetyl-2,3-dihydrobenzo(B)furan
IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone | CAS Registry Number: 90843-31-5
Synonyms: Maybridge1_004802, ZINC04027271, CID145220, 1-(2,3-Dihydro-5-benzofuranyl)ethanone, 1-(2,3-dihydro-5-benzofuranyl)-ethanone, ST5407128

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

InChIKey: MMVUJVASBDVNGJ-UHFFFAOYSA-N

• 3-(carboxymethylaminomethyl)-4-Hydroxybenzoic Acid
IUPAC Name: 3-[(carboxymethylamino)methyl]-4-hydroxybenzoic acid | CAS Registry Number: 55739-39-4
Synonyms: 3-(Carboxymethylaminomethyl)-4-hydroxybenzoic acid, ST51038241, ACMC-20anj4, AC1NLTL7, SureCN712097, AC1Q762B, AG-F-95218, BP-13256, KB-178465, FT-0640336, 3-[(carboxymethylamino)methyl]-4-hydroxybenzoic acid, 3-{[(carboxymethyl)amino]methyl}-4-hydroxybenzoic acid, N-(5-CARBOXY-2-HYDROXY-BENZYL)-AMINOACETIC ACID;3-(CARBOXYMETHYLAMINOMETHYL)-4-HYDROXYBENZOIC ACID;2-HYDROXY-5-CARBOXY-BENZYLAMINO ACETIC ACID;3-(carboxymethylaminomethyl)-4-hydroxybenzoic aci;3-(CARBOXYMETHYLAMINOMETHYL)-4-HYDROXYBE NZOIC ACID, TECH., 85%;N-(5-CARBOXY-2-HYDROXYBENZYL)GLYCIN HYDRATE

Molecular Formula: C10H11NO5Molecular Weight: 225.198040 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: ZASGCNOMAYYQIX-UHFFFAOYSA-N

• 6-Hydroxyl-2-tetralone
IUPAC Name: 6-hydroxy-3,4-dihydro-1H-naphthalen-2-one | CAS Registry Number: 52727-28-3
Synonyms: 6-HYDROXY-2-TETRALONE, 6-Hydroxy-3,4-dihydronaphthalen-2(1H)-one, 6-hydroxy-3,4-dihydro-1H-naphthalen-2-one, SBB056305, AG-F-80044, 6-hydroxy-1,3,4-trihydronaphthalen-2-one, 6-Hydroxy-2-oxo-1,2,3,4-tetrahydronaphthalene, AC1NDHHZ, SureCN266510, CTK4J6358, MolPort-009-197-055, ANW-49233, ZINC04203671, AKOS015901851, MB03486, RP22526, AK-28510, BR-28510, KB-45549, W6735

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

InChIKey: RRWJKWKHVNDLOY-UHFFFAOYSA-N

• 3,4,5-Trimethoxybenzoyl Chloride
IUPAC Name: 3,4,5-trimethoxybenzoyl chloride | CAS Registry Number: 4521-61-3
Synonyms: Trimethylgalloyl chloride, 3,4,5-Trimethoxybenzoyl chloride, Tri-O-methylgalloyl chloride, NCIOpen2_005468, T69809_ALDRICH, Benzoyl chloride, 3,4,5-trimethoxy-, NSC91023, EINECS 224-851-4, NSC 91023, ZINC01586815, ST5214062

Molecular Formula: C10H11ClO4Molecular Weight: 230.644940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BUHYMJLFRZAFBF-UHFFFAOYSA-N

• (5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methylamine
IUPAC Name: (5-methyl-2-phenyltriazol-4-yl)methanamine | CAS Registry Number: 105362-45-6
Synonyms: 2H-1,2,3-Triazole-4-methanamine,5-methyl-2-phenyl-, SDCCGMLS-0065991.P001, AC1MCQZC, ACMC-20m86d, SureCN3507658, CTK4A3771, MolPort-000-142-545, SBB090822, AKOS006227829, AG-D-18746, CC16213, RP03603, AK-55378, KB-02175, (5-methyl-2-phenyltriazol-4-yl)methanamine, FT-0604823, (5-methyl-2-phenyl-1,2,3-triazol-4-yl)methanamine, (5-methyl-2-phenyl-1,2,3-triazol-4-yl)methylamine, I14-35269, (5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanamine

Molecular Formula: C10H12N4Molecular Weight: 188.229080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NUKMUNLDDAJKOE-UHFFFAOYSA-N

• 4-Amino-6,7-dimethoxyquinazoline
IUPAC Name: 6,7-dimethoxyquinazolin-4-amine | CAS Registry Number: 21575-13-3
Synonyms: 6,7-dimethoxyquinazolin-4-amine, AG-E-58103, zlchem 1037, AGN-PC-00KONW, SureCN3166753, 6,7-dimethoxy-4-quinazolinamine, CTK4E7169, ZLD0503, MolPort-000-614-627, 4-Quinazolinamine,6,7-dimethoxy-, 4-Quinazolinamine, 6,7-dimethoxy-, SBB070429, ZINC05511144, AKOS002364349, AK114713, AM100512, N749, KB-141417, KB-189227, TL8001792

Molecular Formula: C10H11N3O2Molecular Weight: 205.213240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: MGHPNHISKDKRJW-UHFFFAOYSA-N

• 4,6-Dinitro-2-Sec-Butylphenol
IUPAC Name: 2-butan-2-yl-4,6-dinitrophenol | CAS Registry Number: 88-85-7
Synonyms: Butaphene, Basanite, Hivertox, Phenotan, Premerge, Dibutox, Gebutox, Kiloseb, Subitex, Caldon, Sparic, Spurge, Aatox, Dytop, Laseb, Chemox general, DINOSEB, Dow General, Blaartox, Butaphen

Molecular Formula: C10H12N2O5Molecular Weight: 240.212680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: OWZPCEFYPSAJFR-UHFFFAOYSA-N

• 2-Methylcinnamic acid
IUPAC Name: (E)-3-(2-methylphenyl)prop-2-enoic acid | CAS Registry Number: 2373-76-4
Synonyms: o-Methylcinnamic acid, 433101_ALDRICH, 3-(2-methylphenyl)acrylic acid, ALBB-007550, NSC99069, EINECS 219-150-5, CID819020, SBB003946, (2E)-3-(2-methylphenyl)acrylic acid, (E)-3-(2-Methylphenyl)-2-propenoic acid, IVK/4021411, 2-Methylcinnamic acid, predominantly trans, AI-942/25034752, 939-57-1

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

InChIKey: RSWBWHPZXKLUEX-VOTSOKGWSA-N

• 3-Methyl-5-Phenyl-1h-Pyrazole
IUPAC Name: 5-methyl-3-phenyl-1H-pyrazole | CAS Registry Number: 3347-62-4
Synonyms: Phemerazole, Femerazol, 3-Methyl-5-phenylpyrazole, 5-Methyl-3-phenylpyrazole, Enamine_001202, 5-methyl-3-phenyl-1H-pyrazole, 1H-Pyrazole, 3-methyl-5-phenyl-, WLN: T5MNJ C1 ER, 3-Methyl-5-phenyl-1H-pyrazole, MLS001004744, PYRAZOLE, 3-METHYL-5-PHENYL-, 1H-Pyrazole,3-methyl-5-phenyl-, NSC78454, EINECS 222-099-1, NSC 78454, 1H-pyrazole, 5-methyl-3-phenyl-, CID18774, BRN 0004208, STK029816, ZINC03832560

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

InChIKey: QHRSESMSOJZMCO-UHFFFAOYSA-N


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