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JiangXi Benniu Pharmaceutical Co.,Ltd

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Web: http://www.benniuchem.com
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Address: Lianggang Industrial Zone, Yifeng, Jiangxi 336300, China
Phone: +86-(795)-290-1650, 290-1920 | Fax: +86-(795)-290-1750 | Map/Directions >>

Profile: JiangXi Benniu Pharmaceutical Co.,Ltd manufactures fine chemicals. Alcohol aldehyde & acid series include (1-benzyl-4-piperidyl)methanol, N-benzylpiperidine-4-carboxaldehyde, 2,6-difluorobenzyl alcohol, 2-methyl-3-nitrobenzyl alcohol, (S)-3-amino-3-phenylpropanoic acid, (S)-3-amino-3-phenylpropan-1-ol and BOC-D-phenylglycinol. Alkyl aryl sodium sulfonate series include sodium pentanesulfonate, sodium 1-hexanesulfonate, sodium 1-heptanesulfonate and sodium 1-octanesulfonate.

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• Acetyl-3,5-dinitro-4-hydroxy-L-phenylalanine
IUPAC Name: 2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid | CAS Registry Number: 20767-00-4
Synonyms: NCIOpen2_009100, NSC83259, N-Acetyl-3,5-dinitro-l-tyrosine, CID256409, SBB015426

Molecular Formula: C11H11N3O8Molecular Weight: 313.220340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: CFKZKLOBRPCKTF-UHFFFAOYSA-N

• Allylestrenol
IUPAC Name: (8R,9S,10R,13S,14S,17R)-13-methyl-17-prop-2-enyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol | CAS Registry Number: 432-60-0
Synonyms: allylestrenol, Gestanin, Gestanol, Gestanon, Gestanyn, Orageston, Organon, Turinal, Allyloestrenol, Gestormone, Perselin, Allyloestrenolum, Estrenol, allyl-, Gestanon-r, Perselin (TN), 17alpha-Allylestrenol, Allilestrenolo [DCIT], 17.alpha.-Allylestrenol, Allylestrenol (JAN/INN), Allylestrenol [INN:JAN]

Molecular Formula: C21H32OMolecular Weight: 300.478180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ATXHVCQZZJYMCF-XUDSTZEESA-N

• Benzo(b)thiophene-2-carboxylic acid
IUPAC Name: 1-benzothiophene-2-carboxylic acid | CAS Registry Number: 6314-28-9
Synonyms: Thianaphthene-2-carboxylic acid, Maybridge1_002631, Benzo[b]thiophene-2-carboxylic acid, DivK1c_001383, Thionapthene-2-carboxylic acid, 467464_ALDRICH, Thionaphthene-2-carboxylic acid, Benzothiophene-2-carboxylic acid, AIDS209139, 1-Benzothiophene-2-carboxylic acid, AIDS-209139, NSC40258, NSC 40258, NSC112990, SBB003763, BL 5583, BL-5583, NSC 112990, SDCCGMLS-0065962.P001, CDS1_000343

Molecular Formula: C9H6O2SMolecular Weight: 178.207740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DYSJMQABFPKAQM-UHFFFAOYSA-N

• Benzo[b]thiophene-2-carbonitrile
IUPAC Name: 1-benzothiophene-2-carbonitrile | CAS Registry Number: 55219-11-9

Molecular Formula: C9H5NSMolecular Weight: 159.207700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RCYHXESNWFYTCU-UHFFFAOYSA-N

• BOC-L-Phenylalaninol
IUPAC Name: tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate | CAS Registry Number: 66605-57-0
Synonyms: Boc-D-phenylalaninol, Boc-L-phenylalaninol, 421685_ALDRICH, 479594_ALDRICH, 15489_FLUKA, ZINC02554976, N-(tert-Butoxycarbonyl)-D-phenylalaninol, N-(tert-Butoxycarbonyl)-L-phenylalaninol, (R)-2-(Boc-amino)-3-phenyl-1-propanol, (S)-2-(Boc-amino)-3-phenyl-1-propanol, A00222, (R)-()-2-(tert-Butoxycarbonylamino)-3-phenyl-1-propanol, (S)-(−)-2-(tert-Butoxycarbonylamino)-3-phenyl-1-propanol

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

InChIKey: LDKDMDVMMCXTMO-LBPRGKRZSA-N

• Cyclohexylmethanol
IUPAC Name: cyclohexylmethanol | CAS Registry Number: 100-49-2
Synonyms: Cyclohexylcarbinol, Cyclohexanecarbinol, CYCLOHEXANEMETHANOL, Hexahydrobenzyl alcohol, Methanol, cyclohexyl-, Cyclohexylmethyl alcohol, (Hydroxymethyl)cyclohexane, Cyclohexyl methanol, Hydroxymethylcyclohexane, Benzyl alcohol, hexahydro-, USAF DO-49, CYCLOHEXYL CARBINOL, WLN: L6TJ A1Q, C105805_ALDRICH, NSC 5288, 55640_FLUKA, EINECS 202-857-8, NSC5288, BRN 0773712, ZINC01680819

Molecular Formula: C7H14OMolecular Weight: 114.185460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VSSAZBXXNIABDN-UHFFFAOYSA-N

• dapoxetine
IUPAC Name: (1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine | CAS Registry Number: 119356-77-3
Synonyms: Dapoxetine, Dapoxetine [INN], Dapoxetinum [INN-Latin], Dapoxetina [INN-Spanish], LY210448, LY 210448, LS-30482, Benzenemethanamine, N,N-dimethyl-alpha-(2-(1-naphthalenyloxy)ethyl)-, (+)-, 129938-20-1

Molecular Formula: C21H23NOMolecular Weight: 305.413420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: USRHYDPUVLEVMC-FQEVSTJZSA-N

• Dapoxetine Hydrochloride
IUPAC Name: (1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine | CAS Registry Number: 129938-20-1
Synonyms: Dapoxetine, Dapoxetine [INN], Dapoxetinum [INN-Latin], Dapoxetina [INN-Spanish], LY210448, LY 210448, LS-30482, Benzenemethanamine, N,N-dimethyl-alpha-(2-(1-naphthalenyloxy)ethyl)-, (+)-, 119356-77-3

Molecular Formula: C21H23NOMolecular Weight: 305.413420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: USRHYDPUVLEVMC-FQEVSTJZSA-N

• Estr-4-en-17-one
IUPAC Name: (8R,9S,10R,13S,14S)-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one | CAS Registry Number: 3846-28-4
Synonyms: estr-4-en-17-one, 3646-28-4, Oestr-4-en-17-one, AC1L325J, SCHEMBL7861153, CTK1C2198, EINECS 222-878-6, AR-1I7199, ZINC06067852, DB-001360, 3B3-064603, (1S,2R,10R,11S,15S)-15-methyltetracyclo[8.7.0.0?,?.0??,??]heptadec-6-en-14-one, (8R,9S,10R,13S,14S)-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one

Molecular Formula: C18H26OMolecular Weight: 258.398440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OLYAEHZZXXLNQQ-QXUSFIETSA-N

• Ethyl 2-(acetylamino)-3-[3,5-diamino-4-(4-methoxyphenoxy)phenyl]propanoate
IUPAC Name: ethyl (2S)-2-acetamido-3-[3,5-diamino-4-(4-methoxyphenoxy)phenyl]propanoate | CAS Registry Number: 440667-78-7
Synonyms: SCHEMBL7631233, CA-510, AJ-32775, Ac-3,5-diamino-4-(4-methoxyphenoxy)-Phe-OEt, Ethyl2- -3-[3,5-diamino-4- phenyl]propanoate

Molecular Formula: C20H25N3O5Molecular Weight: 387.429600 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: HSPGVWWLMFCIKW-SFHVURJKSA-N

• Ethyl 2-(acetylamino)-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoate
IUPAC Name: ethyl 2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoate | CAS Registry Number: 83249-56-3
Synonyms: NSC97077, MolPort-001-783-525, CID417971, KM08406

Molecular Formula: C20H21I2NO5Molecular Weight: 609.193380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LCJKMEUFNHSFPB-UHFFFAOYSA-N

• Ethyl 2-amino-1-cyclopentene-1-carboxylate
IUPAC Name: ethyl 2-aminocyclopentene-1-carboxylate | CAS Registry Number: 7149-18-0
Synonyms: Oprea1_395378, AA007, NSC52925, MolPort-002-054-034, CID243333, ZINC00162152, Cyclopentene-1-carboxylic acid, 2-amino-, ethyl ester

Molecular Formula: C8H13NO2Molecular Weight: 155.194320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FMEHILPGLKGSCA-UHFFFAOYSA-N

• Ethyl 5-nitroindole-2-carboxylate
IUPAC Name: ethyl 5-nitro-1H-indole-2-carboxylate | CAS Registry Number: 16732-57-3
Synonyms: Oprea1_174962, JFD 01905, NSC131897, SBB012437, ZINC00153779, N-3303

Molecular Formula: C11H10N2O4Molecular Weight: 234.208100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: DVFJMQCNICEPAI-UHFFFAOYSA-N

• Levothyroxine Sodium
IUPAC Name: sodium (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate | CAS Registry Number: 55-03-8
Synonyms: Thyradin, eltroxin, levothroid, Levoroxine, Thyronamin, Thyroxevan, Dathroid, Euthyrox, Laevoxin, Tiroidina, Unithroid, Levaxin, Levoxyl, Oroxine, Roxstan, Tetroid, Letter, Sodium thyroxin, Thyroxin sodium, Ro-thyroxine

Molecular Formula: C15H10I4NNaO4Molecular Weight: 798.851850 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: YDTFRJLNMPSCFM-YDALLXLXSA-M

• N,n-dipropyl-2-methyl-3-nitrophenylethanamine
IUPAC Name: N-[2-(2-methyl-3-nitrophenyl)ethyl]-N-propylpropan-1-amine | CAS Registry Number: 91374-23-1
Synonyms: N-(2-methyl-3-nitrophenethyl)-N-propylpropan-1-amine, Benzeneethanamine, 2-methyl-3-nitro-N,N-dipropyl-, [2-(2-Methyl-3-nitro-phenyl)-ethyl]-dipropyl-amine, N-(2-Methyl-3-nitrophenethyl)-N-propylpropan-1-amine hydrochloride, PubChem13926, AGN-PC-00LZPZ, SureCN3841214, CTK6E4245, MolPort-003-987-441, ACT05040, ANW-45345, SBB064101, AKOS015890002, AG-B-31883, BD23106, RP29423, AK-59619, AB1004804, TL8005861, AM20041397

Molecular Formula: C15H24N2O2Molecular Weight: 264.363260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YTNVHUSMDIAWLT-UHFFFAOYSA-N

• N-Benzyl piperidine-4-carboxaldehyde
IUPAC Name: 1-(phenylmethyl)piperidine-4-carbaldehyde | CAS Registry Number: 22065-85-6
Synonyms: ZERO/005913, 1-Benzylpiperidine-4-carbaldehyde, 664081_ALDRICH, N-Benzylpiperidine-4-carboxaldehyde, ALBB-006394, CID89584, EINECS 244-757-7

Molecular Formula: C13H17NOMolecular Weight: 203.280180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SGIBOXBBPQRZDM-UHFFFAOYSA-N

• N-boc D-Prolinol
IUPAC Name: tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate | CAS Registry Number: 83435-58-9
Synonyms: N-Boc-D-prolinol, N-t-Boc-D-prolinol, MLS001332407, MLS001332408, 469440_ALDRICH, ZINC00057019, CID688279, (R)-()-1-Boc-2-pyrrolidinemethanol, (R)-(+)-1-Boc-2-pyrrolidinemethanol, NCGC00166099-01, SMR000857152, (R)-()-1-(tert-Butoxycarbonyl)-2-pyrrolidinemethanol

Molecular Formula: C10H19NO3Molecular Weight: 201.262760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BFFLLBPMZCIGRM-MRVPVSSYSA-N

• N-boc L-Prolinol
IUPAC Name: tert-butyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate | CAS Registry Number: 69610-40-8
Synonyms: Boc-L-Prolinol, N-Boc-L-prolinol, 446327_ALDRICH, ARK001, (S)-1-Boc-2-pyrrolidinemethanol, CID643448, ZINC00057018, ZINC00057019, ST5307674, tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate, 1-pyrrolidinecarboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, InChI=1/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h8,12H,4-7H2,1-3H

Molecular Formula: C10H19NO3Molecular Weight: 201.262760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BFFLLBPMZCIGRM-QMMMGPOBSA-N

• R-(-)-5-(2-Amino-Propyl)-2-Methoxy-Benzenesulfonamide
IUPAC Name: 5-(2-aminopropyl)-2-methoxybenzenesulfonamide | CAS Registry Number: 112101-81-2
Synonyms: 5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE, R-(-)-5-(2-Amino-propyl)-2-methoxybenzenesulfonamide, R-(-)-5-[2(2-Amino-2-Methyl)Ethyl]-2- Methory Benzene Sulfonamide, 112244-38-9, 5-[2-Aminopropyl]-2-methoxybenzenesulfonamide, AGN-PC-00LALO, ACMC-20a14k, Benzenesulfonamide,5-[(2R)-2-aminopropyl]-2-methoxy-, R-(-)-5-(2-Amino-propyl)-2-methoxy-benzenesulfonamide, SureCN1412240, 5-[(2R)-2-AMINOPROPYL]-2-METHOXYBENZENESULFONAMIDE, MolPort-003-848-659, ANW-51025, AKOS015914394, AC-5617, AK-25296, R253, KB-195581, 5-(2-Aminopropyl)-2-methoxybenzenesulphonamide, M-1660

Molecular Formula: C10H16N2O3SMolecular Weight: 244.310640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: IORITYIZDHJCGT-UHFFFAOYSA-N

• Ropinirole HCL
IUPAC Name: 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one hydrochloride | CAS Registry Number: 91374-20-8
Synonyms: ReQuip, Ropinirole hydrochloride, Adartrel, Repreve, ReQuip CR, ReQuip LP, ReQuip XL, ReQuip XR, Requip (TN), JZP-7, C16H24N2O.HCl, Ropinirole hydrochloride [USAN], NVD-434, SK&F 101468-A, Ropinirole hydrochloride (JAN/USAN), SK&F-101468A, NCGC00094373-01, LS-83828, TL8005858, EU-0101101

Molecular Formula: C16H25ClN2OMolecular Weight: 296.835500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XDXHAEQXIBQUEZ-UHFFFAOYSA-N

• Rufinamide
IUPAC Name: 1-[(2,6-difluorophenyl)methyl]triazole-4-carboxamide | CAS Registry Number: 106308-44-5
Synonyms: Inovelon, Banzel, Xilep, Rufinamide (USAN/INN), MLS001332513, MLS001332514, R8404_SIGMA, Cgp 33101, RUF-331, SYN-111, CGP-33101, NCGC00165883-01, NCGC00165883-02, SMR000857122, D05775, E-2080, 1-(2,6-Difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide, 1-[(2,6-difluorophenyl)methyl]-1H-1,2,3-Triazole-4-carboxamide, 1H-1,2,3-Triazole-4-carboxamide, 1-((2,6-difluorophenyl)methyl)-

Molecular Formula: C10H8F2N4OMolecular Weight: 238.193526 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: POGQSBRIGCQNEG-UHFFFAOYSA-N

• Sodium Cyanoborohydride
IUPAC Name: sodium; boron(3+); hydride; cyanide | CAS Registry Number: 25895-60-7
Synonyms: sodium cyanoborohydride, Sodium cyanotrihydroborate, EINECS 247-317-2, LS-191223, Borate(1-), (cyano-kappaC)trihydro-, sodium, (T-4)-

Molecular Formula: CH3BNNaMolecular Weight: 62.841990 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IVGYREMSCQFSBM-UHFFFAOYSA-N

• Sodium Triacetoxyborohydride
IUPAC Name: sodium triacetyloxyboranuide | CAS Registry Number: 56553-60-7
Synonyms: Sodium triacetoxyborohydride, 316393_ALDRICH, 72062_FLUKA, CID2724941, CID5049666, Borate(1-), tris(acetato-kappaO)hydro-, sodium, (T-4)-, 824402-68-8

Molecular Formula: C6H10BNaO6Molecular Weight: 211.940770 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: HHYFEYBWNZJVFQ-UHFFFAOYSA-N

• Tamsulosin
IUPAC Name: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide | CAS Registry Number: 106133-20-4
Synonyms: TAMSULOSIN, Flomax, Tamsulosine [INN-French], Tamsulosinum [INN-Latin], Tamsulosin [INN:BAN], Tamsulosina [INN-Spanish], TAMSULOSIN HYDROCHLORIDE, CHEBI:9398, STOCK6S-44591, C20H28N2O5S, DB00706, NCGC00167442-01, LS-31578, C07124, (R)-5-(2-((2-(2-Ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide, Benzenesulfonamide, 5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxy-, (R)-, 5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide, 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide, 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide, 5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzenesulfonamide

Molecular Formula: C20H28N2O5SMolecular Weight: 408.511720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: DRHKJLXJIQTDTD-OAHLLOKOSA-N

• Tolterodine L-tartrate
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol | CAS Registry Number: 124937-52-6
Synonyms: Detrusitol, Detrol, Tolterodine tartrate, Detrol LA, Detrusitol (TN), Detrol (TN), Tolterodine tartrate [USAN], Tolterodine tartrate (JAN/USAN), PNU 200583E, D01148, Phenol, 2-((1R)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-methyl-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt), Phenol, 2-(3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-methyl-, (R)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) (salt)

Molecular Formula: C26H37NO7Molecular Weight: 475.574480 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: TWHNMSJGYKMTRB-CDHDNNKHSA-N

• Triphenylacetic acid
IUPAC Name: 2,2,2-tri(phenyl)acetic acid | CAS Registry Number: 595-91-5
Synonyms: Tritylformic acid, Acetic acid, triphenyl-, Maybridge1_006927, NSC61, T81205_ALDRICH, NSC 61, Acetic acid, triphenyl- (8CI), AIDS017628, AIDS-017628, EINECS 209-873-4, SBB008604, Benzeneacetic acid, .alpha.,.alpha.-diphenyl-, alpha-Toluic acid, alpha,alpha-diphenyl-, Benzeneacetic acid, alpha,alpha-diphenyl-, AI3-05839, .alpha.-Toluic acid, .alpha.,.alpha.-diphenyl-

Molecular Formula: C20H16O2Molecular Weight: 288.339840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DCYGAPKNVCQNOE-UHFFFAOYSA-N

• Venlafaxine HCL
IUPAC Name: 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol hydrochloride | CAS Registry Number: 99300-78-4
Synonyms: Effexor, Effexor XR, venlafaxine, Trevilor, Dobupal, Efectin, Vandral, Efexor, Venlafaxine EA, Venlafaxin HCL, Venlafaxine hydrochloride, Effexor LP, Effexor XL, VENLAFAXINE HCl, Effexor (TN), C17H27NO2.HCl, HSDB 6699, MLS001401454, Venlafaxine hydrochloride [USAN], Wy-45030

Molecular Formula: C17H28ClNO2Molecular Weight: 313.862720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QYRYFNHXARDNFZ-UHFFFAOYSA-N

• 5-Bromo-2-fluorobenzyl alcohol
IUPAC Name: (5-bromo-2-fluorophenyl)methanol | CAS Registry Number: 99725-13-0
Synonyms: (5-bromo-2-fluorophenyl)methanol, 5-bromo-2-fluorobenzylalcohol, SBB063484, ZINC02516784, PubChem3224, AC1MCMTO, ACMC-209sdv, SureCN135165, CTK8A2479, MolPort-001-777-118, ACT00590, ANW-41057, (5-bromo-2-fluorophenyl)methan-1-ol, AKOS000125510, AC-4160, AG-A-84152, AM62545, AS03959, QC-7677, AK-37019

Molecular Formula: C7H6BrFOMolecular Weight: 205.024343 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UOSBHJFKMGLWGX-UHFFFAOYSA-N

• 2,3,6-Trifluorobenzyl Alcohol
IUPAC Name: (2,3,6-trifluorophenyl)methanol | CAS Registry Number: 114152-19-1
Synonyms: 2,3,6-Trifluorobenzyl alcohol, ZINC00396155, JRD-0630, CID145500, LT03327167

Molecular Formula: C7H5F3OMolecular Weight: 162.109210 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DWOWBLURUYIVOU-UHFFFAOYSA-N

• (R)-(-)-2-Methylpiperazine
IUPAC Name: (2R)-2-methylpiperazine | CAS Registry Number: 75336-86-6
Synonyms: R-2-Methylpiperazine, 397164_ALDRICH, NSC5277, 2-METHYL PIPERAZINE, ANHYDROUS, CID7330434, (R)-(−)-2-Methylpiperazine, FS011294, TL8005161, InChI=1/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H, 109-07-9

Molecular Formula: C5H12N2Molecular Weight: 100.162180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JOMNTHCQHJPVAZ-RXMQYKEDSA-N

• 3,5-Difluorobenzyl alcohol
IUPAC Name: (3,5-difluorophenyl)methanol | CAS Registry Number: 79538-20-8
Synonyms: (3,5-Difluorophenyl)methanol, JRD-0441, ZINC00164758, ST5306851

Molecular Formula: C7H6F2OMolecular Weight: 144.118746 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LOGIHEKXJKHXEC-UHFFFAOYSA-N

• 2,4,5-Trifluorobenzyl Alcohol
IUPAC Name: (2,4,5-trifluorophenyl)methanol | CAS Registry Number: 144284-25-3
Synonyms: 2,4,5-Trifluorobenzyl alcohol, 526541_ALDRICH, ZINC00403442, JRD-0631, CID2777035, ST5407089, TL8000972

Molecular Formula: C7H5F3OMolecular Weight: 162.109210 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NRXZCCOHXZFHBV-UHFFFAOYSA-N

• 7-Fluorooxindole
IUPAC Name: 7-fluoro-1,3-dihydroindol-2-one | CAS Registry Number: 71294-03-6
Synonyms: ZINC02577877, CID3734371, TL8006625, F-6330

Molecular Formula: C8H6FNOMolecular Weight: 151.137743 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VMUIOEOYZHJLEZ-UHFFFAOYSA-N

• 1-Octane Sulphonic Acid Sodium Salt
IUPAC Name: sodium octane-1-sulfonate | CAS Registry Number: 5324-84-5
Synonyms: Sodium octylsulfonate, Sodium octanesulfonate, Sodium 1-octanesulfonate, sodium octane-1-sulfonate, O0133_SIAL, O8380_SIAL, 1-Octanesulfonic acid, sodium salt, 74886_FLUKA, Sodium 1-octanesulfonate solution, 1-Octanesulfonic acid sodium salt, NSC 2738, EINECS 226-195-4, Sodium octane-1-sulphonate monohydrate, 163883-56-5, 3944-72-7

Molecular Formula: C8H17NaO3SMolecular Weight: 216.273550 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HRQDCDQDOPSGBR-UHFFFAOYSA-M

• 3-Thiopheneacetonitrile
IUPAC Name: 2-thiophen-3-ylacetonitrile | CAS Registry Number: 13781-53-8
Synonyms: 3-Thienylacetonitrile, Ambap7257, Thiophene-3-acetonitrile, 219193_ALDRICH, ZINC00157111, CID83730, EINECS 237-433-1

Molecular Formula: C6H5NSMolecular Weight: 123.175600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GWZCLMWEJWPFFA-UHFFFAOYSA-N

• 3-Amino-5-nitroindazole
IUPAC Name: 5-nitro-1H-indazol-3-amine | CAS Registry Number: 41339-17-7
Synonyms: 5-Nitro-1H-indazol-3-ylamine, ZINC03883874, CID3136655, BAS 01991182, ST5258744

Molecular Formula: C7H6N4O2Molecular Weight: 178.148140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: SWZRTDLKPZAFDT-UHFFFAOYSA-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

• 5-Fluorooxindole
IUPAC Name: 5-fluoro-1,3-dihydroindol-2-one | CAS Registry Number: 56341-41-4
Synonyms: 5-Fluoro-2-oxindole, 586579_ALDRICH, ZINC02577869, ZERO/009566, CID3731012

Molecular Formula: C8H6FNOMolecular Weight: 151.137743 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DDIIYGHHUMKDGI-UHFFFAOYSA-N

• 4-(2-hydroxyethyl)oxyindole
IUPAC Name: 4-(2-hydroxyethyl)-1,3-dihydroindol-2-one | CAS Registry Number: 139122-19-3
Synonyms: 4-(2-Hydroxyethyl)indolin-2-one, 1,3-Dihydro-4-(2-hydroxyethyl)-2H-Indol-2-one, 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indole-2-one, PubChem14624, 4-(2-hydroxyethyl)-1,3-dihydroindol-2-one, SureCN154311, UNII-6YTE425882, MolPort-003-847-853, ACT02510, AC-499, ANW-47021, ZINC22000127, AKOS005258766, RL01686, AK-77220, KB-64475, 4-(2-Hydroxyethyl)-1,3-dihydro-2H-indolin-2-one

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

InChIKey: QRTHVOUKWCEPKJ-UHFFFAOYSA-N

• 2-[2-(Dipropylamino)ethyl]-6-Nitrophenylacetic Acid Hydrochloride
IUPAC Name: 2-[2-[2-(dipropylamino)ethyl]-6-nitrophenyl]acetic acid;hydrochloride | CAS Registry Number: 91374-25-3
Synonyms: 2-(2-(2-(Dipropylamino)ethyl)-6-nitrophenyl)acetic acid hydrochloride, 2-(2-(dipropylamino)ethyl)-6-nitrophenylacetic acid hydrochloride, 2-[2-(DIPROPYLAMINO)ETHYL]-6-NITROPHENYLACETIC ACID HYDROCHLORIDE, 2-[2-(Dipropylamino)ethyl]-6-Nitro-Phenyl Acetic Acid, AGN-PC-00MXPC, SureCN2012929, CTK8C0874, MolPort-005-942-958, ANW-65398, SBB065166, AKOS015890608, RL05747, AK102787, AB1004806, KB-166510, I01-7159, [2-Nitro-6-(2-dipropylaminoethyl)phenyl]acetic acid hydrochloride, 2-[2-[2-(dipropylamino)ethyl]-6-nitrophenyl]acetic acid;hydrochloride

Molecular Formula: C16H25ClN2O4Molecular Weight: 344.833700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FPWCGNYEZSMQIY-UHFFFAOYSA-N

• 1-Hexane Sulphonic Acid Sodium Salt
IUPAC Name: sodium hexane-1-sulfonate | CAS Registry Number: 2832-45-3
Synonyms: Sodium hexanesulfonate, H5269_SIAL, H9026_SIAL, 52864_FLUKA, Sodium 1-hexanesulfonate solution, 1-Hexanesulfonic acid sodium salt, 1-Hexanesulfonic acid, sodium salt, 317411_SIAL, EINECS 220-601-3, Sodium hexane-1-sulphonate monohydrate, 163883-55-4

Molecular Formula: C6H13NaO3SMolecular Weight: 188.220390 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QWSZRRAAFHGKCH-UHFFFAOYSA-M

• 5-Chlorooxindole
IUPAC Name: 5-chloro-1,3-dihydroindol-2-one | CAS Registry Number: 17630-75-0
Synonyms: 127485_ALDRICH, ALBB-006976, 5-Chloro-1,3-dihydro-2H-indol-2-one, 5-Chloro-1,3-dihydro-indol-2-one, SBB003879, ZINC00161358, Indol-2-one, 5-chloro-1,3-dihydro-, 7-Chloro-1,3-dihydro-2H-indol-2-one, 2H-Indol-2-one, 7-chloro-1,3-dihydro-, TL8001400, C-5240, SR-01000637295-1, 25369-33-9, InChI=1/C8H6ClNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11

Molecular Formula: C8H6ClNOMolecular Weight: 167.592340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WWJLCYHYLZZXBE-UHFFFAOYSA-N

• 3,4,5-Trimethoxyphenylacetonitrile
IUPAC Name: 2-(3,4,5-trimethoxyphenyl)acetonitrile | CAS Registry Number: 13338-63-1
Synonyms: 3,4,5-Trimethoxybenzyl cyanide, 3,4,5-Trimethoxybenzylnitrile, 3,4,5-Trimethoxyphenylacetylnitryl, 113360_ALDRICH, 3,4,5-Trimethoxybenzeneacetonitrile, EINECS 236-388-5, Benzeneacetonitrile, 3,4,5-trimethoxy-, NSC 97556, NSC97556, BRN 2214548, ZINC00157020, (3,4,5-Trimethoxyphenyl)acetonitrile, 3,4,5-(Trimethoxyphenyl)acetonitrile, ACETONITRILE, (3,4,5-TRIMETHOXYPHENYL)-, LS-13316, ST5308013, Benzeneacetonitrile, 3,4,5-trimethoxy- (9CI), 4-10-00-02033 (Beilstein Handbook Reference), InChI=1/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H

Molecular Formula: C11H13NO3Molecular Weight: 207.225820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ACFJNTXCEQCDBX-UHFFFAOYSA-N

• (D)-Pipecolic acid
IUPAC Name: piperidine-2-carboxylic acid | CAS Registry Number: 1723-00-8
Synonyms: Pipecolic acid, Homoproline, Pipecolinic acid, pipecolate, Dihydrobaikiane, l-Pipecolic acid, L-pipecolate, Piperolinic acid, homopipecolic acid, Hexahydropicolinic acid, Pipecolic acid, L-, L-Pipecolinic acid, 2-PIPERIDINECARBOXYLIC ACID, DL-Pipecolinic acid, .alpha.-Pipecolinic acid, Acide pipecolique [French], Pipecolic acid free base, Pipecolic acid, L-(-)-, Pipecolic acid, (S)-(-)-, pipecolic acid, ion (1-)

Molecular Formula: C6H11NO2Molecular Weight: 129.157040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HXEACLLIILLPRG-UHFFFAOYSA-N

• 4-Nitrobenzylamine hydrochloride
IUPAC Name: (4-nitrophenyl)methanamine | CAS Registry Number: 18600-42-5
Synonyms: 4-Nitrobenzylamine, para-Nitrobenzylamine, P-NITRO-BENZYLAMINE, Benzenemethanamine, 4-nitro-, BBV-087239, PNZ, 7409-30-5

Molecular Formula: C7H8N2O2Molecular Weight: 152.150620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ODVBBZFQPGORMJ-UHFFFAOYSA-N

• 1-Benzy-4-hydroxymethyl Piperidine
IUPAC Name: [1-(phenylmethyl)piperidin-4-yl]methanol | CAS Registry Number: 67686-01-5
Synonyms: Oprea1_527183, (1-benzyl-4-piperidinyl)methanol, 1-Benzyl-4-Piperidine-methanol, 1-Benzyl-4-hydroxymethylpiperidine, SDCCGMLS-0066148.P001, CID736802, EC-000.1863, TL8004768, 6X-0704, AE-641/14044007

Molecular Formula: C13H19NOMolecular Weight: 205.296060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FLQPYEOKVZYXRL-UHFFFAOYSA-N

• 4-N-Hexyloxybenzoic acid
IUPAC Name: 4-hexoxybenzoic acid | CAS Registry Number: 1142-39-8
Synonyms: 4-Hexyloxybenzoic acid, 4-n-Hexyloxybenzoic acid, 4-(Hexyloxy)benzoic acid, p-Hexyloxybenzoic acid, p-Hexoylbenzoic acid, Benzoic acid, 4-(hexyloxy)-, p-n-Hexyloxybenzoic acid, p-(Hexyloxy)benzoic acid, SBB008159, 4-hexoxybenzoic acid, PubChem2669, AC1L2EYS, AC1Q2WGH, p-(n-Hexoxy)benzoic acid, ACMC-1C8PE, SureCN503946, AC1Q5U1H, 4-N-HexYl-Oxybenzoic Acid, AKOS BBB/256, KSC492S7D

Molecular Formula: C13H18O3Molecular Weight: 222.280220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HBQUXMZZODHFMJ-UHFFFAOYSA-N

• 5-Nitroindole-2-carboxylic acid
IUPAC Name: 5-nitro-1H-indole-2-carboxylic acid | CAS Registry Number: 16730-20-4
Synonyms: Ambap5237, NSC520595, CID351291, TL8001290, N-3298

Molecular Formula: C9H6N2O4Molecular Weight: 206.154940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: LHFOJSCXLFKDIR-UHFFFAOYSA-N

• (R)-1-N-Boc-2-methylpiperazine
IUPAC Name: tert-butyl (2R)-2-methylpiperazine-1-carboxylate | CAS Registry Number: 170033-47-3
Synonyms: (R)-1-Boc-2-Methylpiperazine, (r)-n-boc-2-methylpiperazine, (R)-1-BOC-2-METHYL-PIPERAZINE, (R)-tert-butyl 2-methylpiperazine-1-carboxylate, (R)-1-N-Boc-2-methyl piperazine, SBB056111, AG-E-19310, PubChem11685, PubChem11687, SureCN103217, 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate, KSC496M7J, CTK3J6674, MolPort-000-002-261, BH114, ACN-S001795, ACT02156, ANW-52376, FC0159, AKOS005146156

Molecular Formula: C10H20N2O2Molecular Weight: 200.278000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DATRVIMZZZVHMP-MRVPVSSYSA-N

• 2-methyl-3-nitrophenylacetic acid
IUPAC Name: 2-(2-methyl-3-nitrophenyl)acetic acid | CAS Registry Number: 23876-15-5
Synonyms: 2-Methyl-3-nitrophenylacetic Acid, 2-methyl-3-nitro-benzeneacetic acid, 2-(2-Methyl-3-nitrophenyl)acetic acid, (2-Methyl-3-nitrophenyl)acetic acid, (3-Nitro-o-tolyl)acetic Acid, SBB063963, AG-E-70244, PubChem18230, ACMC-1CIOV, AGN-PC-00MXP8, SureCN1294540, CTK1A1850, 2-(Carboxymethyl)-6-nitrotoluene, MolPort-001-767-501, 2-Methyl-3-nitrophenylacetic acid;, ACN-S002756, ACN-S004160, ANW-25249, WT1651, AKOS009538207

Molecular Formula: C9H9NO4Molecular Weight: 195.172060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LWIOFILTAJJDLA-UHFFFAOYSA-N


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