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Profile: The New Century Chemical & Pharmaceutical Enterprise offers 5-hydroxymethylfurfural, 2-methyl-2-propanethiol, ursolic acid, 2-formyl-3,4-dihydro-2H-pyran, 4-bromo-3-nitrobenzotrifluoride, 3-methoxy-5-(trifluoromethyl)aniline, 4-bromo-1-fluoro-2-nitrobenzene, artemisin and isonipecotic acid.

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• Methyl 4-piperidinecarboxylate
IUPAC Name: methyl piperidine-4-carboxylate;hydrochloride | CAS Registry Number: 2971-79-1
Synonyms: methyl piperidine-4-carboxylate hydrochloride, 7462-86-4, methyl isonipecotate hydrochloride, methyl piperidine-4-carboxylate hcl, SBB054004, methyl piperidine-4-carboxylate hcl salt, methyl 4-piperidinecarboxylate hydrochloride, Piperidine-4-carboxylic acid methyl ester hydrochloride, methyl piperidine-4-carboxylate, chloride, PubChem7745, SureCN774514, AC1Q3BX3, CTK6J0912, methyl 4-piperidinecarboxylate hcl, MolPort-001-815-125, methyl isonipecotinate hydrochloride, ACT10169, methyl 4-piperidinecarboxylate, hcl, ANW-42580, NSC402200

Molecular Formula: C7H14ClNO2Molecular Weight: 179.644560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XAVNWNCTXQDFLF-UHFFFAOYSA-N

• Methyl 6-aminonicotinate
IUPAC Name: methyl 6-aminopyridin-1-ium-3-carboxylate | CAS Registry Number: 36052-24-1
Synonyms: ZINC00167664, CID6933770

Molecular Formula: C7H9N2O2+Molecular Weight: 153.158560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JACPDLJUQLKABC-UHFFFAOYSA-O

• Methyl Cyclopropane Carboxylate
IUPAC Name: methyl cyclopropanecarboxylate | CAS Registry Number: 2868-37-3
Synonyms: Methyl cyclopropanecarboxylate, MCPC, M40405_ALDRICH, 482110_ALDRICH, Cyclopropanecarboxylic acid, methyl ester, EINECS 220-690-9, ZINC00164516, AI3-27233, LS-58754

Molecular Formula: C5H8O2Molecular Weight: 100.115820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PKAHQJNJPDVTDP-UHFFFAOYSA-N

• Methyl-3-cyclopentene-1-carboxylate
IUPAC Name: methyl cyclopent-3-ene-1-carboxylate | CAS Registry Number: 58101-60-3
Synonyms: Methyl 3-cyclopentenecarboxylate, Methyl Cyclopent-3-ene-1-carboxylate, Methyl cyclopent-3-enecarboxylate, AG-G-05437, METHYL-3-CYCLOPENTENE-1-CARBOXYLATE, AC1LTSWU, ACMC-209m2j, SureCN637275, Methyl3-cyclopentenecarboxylate, CTK5A7852, MolPort-000-004-597, 4-(Methoxycarbonyl)cyclopent-1-ene, ACN-S004307, Methyl3-cyclopentene-1-carboxylate;, AC-589, ANW-32873, GEO-02841, ZINC01435881, AKOS006280752, AK-47556

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

InChIKey: CEOILRYKIJRPBZ-UHFFFAOYSA-N

• Methylurea
IUPAC Name: methylurea | CAS Registry Number: 598-50-5
Synonyms: N-Methylurea, METHYLUREA, Monomethylurea, Urea, methyl-, 1-Methylurea, Methyl urea, urea, N-methyl-, Methylmocovina [Czech], Methylharnstoff [German], M86804_ALDRICH, CCRIS 9137, 67090_FLUKA, EINECS 209-935-0, AIDS003653, AIDS-003653, c1176, ZINC05209166, AI3-15088, LS-160454, C16363

Molecular Formula: C2H6N2OMolecular Weight: 74.081840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: XGEGHDBEHXKFPX-UHFFFAOYSA-N

• N,N'-Dimethyl-1,2-Ethanediamine
IUPAC Name: N,N'-dimethylethane-1,2-diamine | CAS Registry Number: 110-70-3
Synonyms: 2,5-Diazahexane, Dimethylethylenediamine, N,N'-Dimethylethylenediamine, 1,2-Bis(methylamino)ethane, sym-Dimethylethylenediamine, N,N'-Dimethyldiaminoethane, N,N'-Dimethylethanediamine, 1,2-Ethanediamine, N,N'-dimethyl-, D157805_ALDRICH, ETHYLENEDIAMINE, N,N'-DIMETHYL-, 270032_ALDRICH, N,N'-Dimethyl-1,2-ethanediamine, EINECS 203-793-3, CID8070, N,N'-dimethylethane-1,2-diamine, AIDS018830, AIDS-018830, BRN 0878142, 1,2-Ethanediamine, N1,N2-dimethyl-, AI3-26668

Molecular Formula: C4H12N2Molecular Weight: 88.151480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KVKFRMCSXWQSNT-UHFFFAOYSA-N

• N,N-Dimethylformamide dimethyl acetal
IUPAC Name: 1,1-dimethoxy-N,N-dimethylmethanamine | CAS Registry Number: 4637-24-5
Synonyms: 1,1-Dimethoxytrimethylamine, Trimethylamine, 1,1-dimethoxy-, Dimethylformamide-dimethylacetal, 140732_ALDRICH, 394963_ALDRICH, Methanamine, 1,1-dimethoxy-N,N-dimethyl-, EINECS 225-063-3, 1,1-dimethoxy-N,N-dimethylmethanamine, 1,1-Dimethoxy-N,N-dimethylmethylamine, SB 00604, TL8003205, D-5200, InChI=1/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H

Molecular Formula: C5H13NO2Molecular Weight: 119.162220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZSXGLVDWWRXATF-UHFFFAOYSA-N

• N-Boc-4-Carbethoxy Piperidine
IUPAC Name: 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate | CAS Registry Number: 142851-03-4
Synonyms: Ethyl N-Boc-piperidine-4-carboxylate, 1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate, Dimethylethyl piperidinedicarboxylic acid ethyl ester, ethyl 1-boc-piperidine-4-carboxylate, SBB054002, 1-Boc-piperidine-4-carboxylicacidethylester, 1-(tert-butyl) 4-ethyl tetrahydro-1,4(2h)-pyridinedicarboxylate, 1-boc-piperidine-4-carboxylic acid ethyl ester, Ethyl 1-tert-Butoxycarbonylpiperidine-4-carboxylate, Piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester, ethyl 1-[(tert-butyl)oxycarbonyl]piperidine-4-carboxylate, ZINC00153435, AC1MBYZW, PubChem11350, PubChem11465, ethyl n-boc-isonipecotate, ACMC-209cp6, SureCN337418, 1-boc-4-carbethoxypiperidine, KSC174E9F

Molecular Formula: C13H23NO4Molecular Weight: 257.326020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MYHJCTUTPIKNAT-UHFFFAOYSA-N

• N-Boc-Piperidine-4-carboxylic acid methyl ester
IUPAC Name: 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate | CAS Registry Number: 124443-68-1
Synonyms: NSC693923, AIDS151872, AIDS-151872, ALBB-006379, ZINC01433131, NCI60_033612, 1-tert-Butyl 4-methyl 1,4-piperidinedicarboxylate, 9W-0607, 1-tert-butyl 4-methyl piperidine-1,4-dicarboxylate

Molecular Formula: C12H21NO4Molecular Weight: 243.299440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PTZNCCIULVXFIJ-UHFFFAOYSA-N

• Ortho Amino Para Picoline
IUPAC Name: 6-methylpyridin-2-amine | CAS Registry Number: 1824-81-3
Synonyms: 6-Amino-2-picoline, 2-Amino-6-picoline, 2-Amino-6-methylpyridine, 2-Pyridinamine, 6-methyl-, 2-Picoline, 6-amino-, 6-Methyl-2-pyridinamine, 6-Methyl-2-pyridylamine, 6-Amino-2-methylpyridine, 6-Methyl-2-aminopyridine, 6-methylpyridin-2-amine, WLN: T6NJ BZ F1, A75706_ALDRICH, PYRIDINE, 2-AMINO-6-METHYL-, NSC 1488, NSC 6971, EINECS 217-360-1, 2-Picoline, 6-amino- (8CI), NSC1488, NSC6971, BRN 0107048

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QUXLCYFNVNNRBE-UHFFFAOYSA-N

• Paeoniflorin
Synonyms: Paeonia moutan, Paeony root, Ambap3981, AIDS002238, AIDS-002238, NSC178886, C09959, .beta.-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl

Molecular Formula: C23H28O11Molecular Weight: 480.461820 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 11

InChIKey: YKRGDOXKVOZESV-WRJNSLSBSA-N

• Phenyl vinyl sulfone
IUPAC Name: ethenylsulfonylbenzene | CAS Registry Number: 5535-48-8
Synonyms: Sulfone, phenyl vinyl, vinylsulfonyl-benzene, Phenyl vinyl sulphone, Benzene, (ethenylsulfonyl)-, 241717_ALDRICH, 79292_FLUKA, 79293_FLUKA, URI 744, NSC35394, EINECS 226-890-2, ZINC00391881, TL8006881

Molecular Formula: C8H8O2SMolecular Weight: 168.212920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UJTPZISIAWDGFF-UHFFFAOYSA-N

• Puerarin
IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | CAS Registry Number: 3681-99-0
Synonyms: NPI-31G, P5555_SIGMA, 82435_FLUKA, CID5281807, C10524, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one

Molecular Formula: C21H20O9Molecular Weight: 416.378100 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 9

InChIKey: HKEAFJYKMMKDOR-VPRICQMDSA-N

• Pyridine-3,4-dicarboxylic anhydride
IUPAC Name: furo[3,4-c]pyridine-1,3-dione | CAS Registry Number: 4664-08-8
Synonyms: Cinchomeronic anhydride, 3,4-Pyridinedicarboxylic anhydride, 282715_ALDRICH, Furo[3,4-c]pyridine-1,3-dione, NSC127964, AIDS046721, AIDS-046721, RDP 00107, ZINC08100888, EC-000.1422, AC-907/25014353

Molecular Formula: C7H3NO3Molecular Weight: 149.103620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KFKMGUPDWTWQFM-UHFFFAOYSA-N

• Salvianolic acid B
IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carbonyl]oxypropanoic acid | CAS Registry Number: 115939-25-8
Synonyms: Lithospermic acid B, CID6441188, C076944, (2R-(2alpha,3beta(R*),4(E(R*))))-3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethyl) 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylate, 3-Benzofurancarboxylic acid, 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, 3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethyl) ester, (2R-(2alpha,3beta(R*),4(E(R*))))-

Molecular Formula: C36H30O16Molecular Weight: 718.613800 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 16

InChIKey: SNKFFCBZYFGCQN-RDHSGEKBSA-N

• tert-Butyl carbamate
IUPAC Name: tert-butyl carbamate | CAS Registry Number: 4248-19-5
Synonyms: Boc-amide, T-butyl carbamate, 167398_ALDRICH, 21759_FLUKA, Carbamic acid, 1,1-dimethylethyl ester, CID77922, EINECS 224-209-3, NSC131089, ZINC00388418, TL8003021, BOC

Molecular Formula: C5H11NO2Molecular Weight: 117.146340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LFKDJXLFVYVEFG-UHFFFAOYSA-N

• Ursolic acid
IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | CAS Registry Number: 77-52-1
Synonyms: Prunol, Malol, Urson, Merotaine, 3-epi-ursolic acid, .beta.-Ursolic acid, Prestwick3_000089, CCRIS 7123, BSPBio_000018, MLS000728569, MLS002154196, U6753_SIGMA, NSC4060, BPBio1_000020, CHEBI:9908, 3beta-Hydroxyurs-12-en-28-oic acid, NSC 4060, 89797_FLUKA, EINECS 201-034-0, TOS-BB-0966

Molecular Formula: C30H48O3Molecular Weight: 456.700320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WCGUUGGRBIKTOS-GPOJBZKASA-N

• Vinyl Sulphone
IUPAC Name: 1-ethenylsulfonylethene | CAS Registry Number: 77-77-0
Synonyms: Divinyl sulfone, Divinyl sulphone, VINYL SULFONE, Sulfone, divinyl-, Bis(ethenyl)sulfone, Ethene, 1,1'-sulfonylbis-, 1,1'-Sulphonylbisethene, Vinyl sulfone (8CI), 1,1'-sulfonyldiethylene, CCRIS 4349, V3700_ALDRICH, HSDB 2028, WLN: 1U1SW1U1, TL 797, EINECS 201-057-6, NSC 18590, NSC18590, NSC57304, BRN 1071329, ZINC01561509

Molecular Formula: C4H6O2SMolecular Weight: 118.154240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AFOSIXZFDONLBT-UHFFFAOYSA-N

• 1,3-Diamino-2-Propanol
IUPAC Name: 1,3-diaminopropan-2-ol | CAS Registry Number: 616-29-5
Synonyms: Diaminoisopropanol, 1,3-Diamino-2-propanol, 1,3-Diamino-2-hydroxypropane, 1,3-Diaminopropan-2-ol, 2-Hydroxy-1,3-diaminopropane, 2-Hydroxy-1,3-propanediamine, D18609_ALDRICH, 2-PROPANOL, 1,3-DIAMINO-, 33262_FLUKA, NSC6070, CID61157, NSC 6070, EINECS 210-474-2, AI3-15325, TL8003910, 120687-58-3, 13552-30-2, 98923-22-9

Molecular Formula: C3H10N2OMolecular Weight: 90.124300 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: UYBWIEGTWASWSR-UHFFFAOYSA-N

• 3-Hydroxy-4-Nitro Benzoic Acid
IUPAC Name: 3-hydroxy-4-nitrobenzoic acid | CAS Registry Number: 619-14-7
Synonyms: 3-Hydroxy-4-nitrobenzoic acid, 4-Nitro-3-hydroxybenzoic acid, H48409_ALDRICH, NSC46823, 55970_FLUKA, CID69265, EINECS 210-580-9, SB 01945, TL806454, ST5406352, InChI=1/C7H5NO5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11

Molecular Formula: C7H5NO5Molecular Weight: 183.118300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: XLDLRRGZWIEEHT-UHFFFAOYSA-N

• 1-Bromonaphthalene
IUPAC Name: 1-bromonaphthalene | CAS Registry Number: 90-11-9
Synonyms: Naphthalene, 1-bromo-, 1-Naphthyl bromide, 1-BROMONAPHTHALENE, alpha-Bromonaphthalene, .alpha.-Bromonaphthalene, alpha-Naphthyl bromide, .alpha.-Naphthyl bromide, 1-Bromonaphthalene solution, B73104_ALDRICH, NSC 6551, 17640_FLUKA, 17650_FLUKA, EINECS 201-965-2, NSC6551, BRN 1906414, AI3-02271, LS-94439, ST5406316, 4-05-00-01665 (Beilstein Handbook Reference), InChI=1/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7

Molecular Formula: C10H7BrMolecular Weight: 207.066580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DLKQHBOKULLWDQ-UHFFFAOYSA-N

• 4-Bromo-1-Butene
IUPAC Name: 4-bromobut-1-ene | CAS Registry Number: 5162-44-7
Synonyms: sJPHAbIJuH@, 1-Bromo-3-butene, 1-Butene, 4-bromo-, 4-BROMO-1-BUTENE, 4-Bromobut-1-ene, 167851_ALDRICH, 16500_FLUKA, CID21241, EINECS 225-937-4, TL8003415, InChI=1/C4H7Br/c1-2-3-4-5/h2H,1,3-4H

Molecular Formula: C4H7BrMolecular Weight: 135.002380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DMAYBPBPEUFIHJ-UHFFFAOYSA-N

• 3,5-Dichloroacetophenone
IUPAC Name: 1-(3,5-dichlorophenyl)ethanone | CAS Registry Number: 14401-72-0
Synonyms: 3',5'-Dichloroacetophenone, 1-(3,5-dichlorophenyl)ethanone, 1-acetyl-3,5-dichlorobenzene, 1-(3,5-dichlorophenyl)ethan-1-one, Ethanone, 1-(3,5-dichlorophenyl)-, SBB055399, ZINC04254315, PubChem3389, AC1MBXAH, SureCN111207, CTK4C3898, MolPort-000-153-934, ACT00188, Ethanone,1-(3,5-dichlorophenyl)-, ANW-53798, AKOS006345269, 1-[3,5-bis(chloranyl)phenyl]ethanone, AB02007, AG-A-46527, AG-D-86899

Molecular Formula: C8H6Cl2OMolecular Weight: 189.038640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JGMBBKVZFUHCJC-UHFFFAOYSA-N

• 4-Chloro-3-hydroxybenzoic acid
IUPAC Name: 4-chloro-3-hydroxybenzoic acid | CAS Registry Number: 34113-69-4
Synonyms: Benzoic acid, 4-chloro-3-hydroxy-, SBB008503, FR-2183

Molecular Formula: C7H5ClO3Molecular Weight: 172.565800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SCPUNJAMWFAYED-UHFFFAOYSA-N

• 3,5-Dibromoanisole
IUPAC Name: 1,3-dibromo-5-methoxybenzene | CAS Registry Number: 74137-36-3
Synonyms: 1,3-Dibromo-5-methoxybenzene, AG-G-94388, PubChem2009, 3,5-Dibromoanisole,, ACMC-1BH5R, SureCN309832, KSC493Q1D, CTK3J3811, MolPort-002-462-132, Benzene, 1,3-dibromo-5-methoxy-, ACN-S004640, ACT11656, ANW-36436, ZINC02579265, AKOS015834288, AC-3780, AM61638, AS01384, AS04144, LS10488

Molecular Formula: C7H6Br2OMolecular Weight: 265.929940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OQZAQBGJENJMHT-UHFFFAOYSA-N

• 2-Aminobenzamide
IUPAC Name: 2-aminobenzamide | CAS Registry Number: 88-68-6
Synonyms: Anthranilamide, o-Aminobenzamide, Aminobenzamide, Benzamide, 2-amino-, 2-AMINOBENZAMIDE, Benzamide, o-amino-, Anthranilimidic acid, 2-Carbamoylaniline, Anthranilamide (VAN), Anthranilic acid amide, o-Aminobenzamide (VAN), 2-Aminobenzamide (VAN), Anthranilimidic acid (VAN), Oprea1_246280, A89804_ALDRICH, Benzoic acid, 2-amino-, amide, Benzamide, o-amino- (VAN), HSDB 5261, MLS001066328, 2-AB

Molecular Formula: C7H8N2OMolecular Weight: 136.151220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PXBFMLJZNCDSMP-UHFFFAOYSA-N

• 2-Allylphenol
IUPAC Name: 2-prop-2-enylphenol | CAS Registry Number: 1745-81-9
Synonyms: 2-ALLYLPHENOL, o-Allylphenol, Phenol, o-allyl-, (2-Propenyl)phenol, 2-allylphenol sodium, 2-(2-Propenyl)phenol, Phenol, 2-(2-propenyl)-, 2-allylphenol potassium, 2-prop-2-en-1-ylphenol, Phenol, (2-propenyl)-, WLN: QR B2U1, A34805_ALDRICH, NSC 1538, EINECS 217-119-0, NSC1538, AIDS017741, BB_SC-1155, 1-ALLYL,2-HYDROXY-BENZENE, AIDS-017741, BRN 0742121

Molecular Formula: C9H10OMolecular Weight: 134.175100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QIRNGVVZBINFMX-UHFFFAOYSA-N

• 6-Aminonicotinic Acid
IUPAC Name: 6-aminopyridine-3-carboxylic acid | CAS Registry Number: 3167-49-5
Synonyms: 6-Aminonicotinic acid, Nicotinic acid, 6-amino-, 6-Amino Nicotinic Acid, 3-Pyridinecarboxylic acid, 6-amino-, TPC-PY079, 2-Amino-5-pyridinecarboxylic acid, 216879_ALDRICH, 6-Aminopyridine-3-carboxylic acid, Nicotinic acid, 6-amino- (8CI), ALBB-005967, EINECS 221-630-4, NSC229361, SBB004186, ZINC00334127, 2-AMINO-5-CARBOXAMIDE PYRIDINE, NSC 229361, A182, AI-942/25034199, InChI=1/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10, 5336-87-8

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

InChIKey: ZCIFWRHIEBXBOY-UHFFFAOYSA-N

• 6-Bromo-1-Hexene
IUPAC Name: 6-bromohex-1-ene | CAS Registry Number: 2695-47-8
Synonyms: 1-Bromo-5-hexene, 6-Bromo-1-hexene, 1-Hexene, 6-bromo-, 6-Bromohex-1-ene, 247219_ALDRICH, EINECS 220-267-9

Molecular Formula: C6H11BrMolecular Weight: 163.055540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: RIMXEJYJXDBLIE-UHFFFAOYSA-N

• 8-Bromooctanoic Acid
IUPAC Name: 8-bromooctanoic acid | CAS Registry Number: 17696-11-6
Synonyms: 8-Bromooctanoic acid, 8-Bromocaprylic acid, Octanoic acid, 8-bromo-, omega-BROMOCAPRYLIC ACID, 257583_ALDRICH

Molecular Formula: C8H15BrO2Molecular Weight: 223.107500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BKJFDZSBZWHRNH-UHFFFAOYSA-N

• 1-Butanethiol
IUPAC Name: butane-1-thiol | CAS Registry Number: 109-79-5
Synonyms: n-Butanethiol, Butanethiol, Butylthiol, n-Butyl mercaptan, Bear skunk, n-Butylmercaptan, Thiobutyl alcohol, 1-Mercaptobutane, butane-1-thiol, 1-Butyl mercaptan, n-Butyl thioalcohol, BUTYL MERCAPTAN, Mercaptan C4, Caswell No. 119D, Bis(butylthio)mercury, Normal butyl thioalcohol, FEMA No. 3478, HSDB 290, W347809_ALDRICH, n-butyl mercaptan, sodium salt

Molecular Formula: C4H10SMolecular Weight: 90.187200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WQAQPCDUOCURKW-UHFFFAOYSA-N

• 3,5-Dimethoxyaniline
IUPAC Name: 3,5-dimethoxyaniline | CAS Registry Number: 10272-07-8
Synonyms: 3,5-Dimethoxybenzeneamine, Benzenamine, 3,5-dimethoxy-, D130001_ALDRICH, 5-Aminoresorcinol dimethyl ether, 38600_FLUKA, EINECS 233-616-5, ZINC00164493, ST5308258, TL8000128, InChI=1/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H

Molecular Formula: C8H11NO2Molecular Weight: 153.178440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WNRGWPVJGDABME-UHFFFAOYSA-N

• 4-Hydroxy-2,6-dimethoxybenzaldehyde
IUPAC Name: 4-hydroxy-2,6-dimethoxybenzaldehyde | CAS Registry Number: 22080-96-2
Synonyms: 392936_ALDRICH, ZINC02379824, 2,6-Dimethoxy-4-hydroxybenzaldehyde, CID529894, SBB008640, FR-2359, Ethanal, 2-(4-hydroxy-2,6-dimethoxyphenyl), InChI=1/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HZWPJAZIRZFCGX-UHFFFAOYSA-N

• 10-Deacetyl Baccatin III
Synonyms: 10-Deacetylbaccatin III, D3676_SIGMA, STOCK1N-38774, CHEBI:18193, 10-Deacetylbaccatin- III from Taxus baccata, C11700, 5beta,20-epoxy-1,7beta,10beta,13alpha-tetrahydroxy-9-oxotax-11-ene-2alpha,4alpha-diyl 4-acetate 2-benzoate, 7,11-Methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one, 12b-(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-

Molecular Formula: C29H36O10Molecular Weight: 544.590140 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: YWLXLRUDGLRYDR-ZHPRIASZSA-N

• 2,4-Dichloro-5-Fluoro Benzoic Acid
IUPAC Name: 2,4-dichloro-5-fluorobenzoic acid | CAS Registry Number: 86522-89-6
Synonyms: Maybridge1_002392, DivK1c_001144, 343978_ALDRICH, 2,4-Dichloro-5-fluorobenzoic acid, JRD-1060, CDS1_000104, CID688138, SBB003459, InChI=1/C7H3Cl2FO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12

Molecular Formula: C7H3Cl2FO2Molecular Weight: 209.001923 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KZCWJHUTTSVCRO-UHFFFAOYSA-N

• 3-Methoxy-4-Nitrobenzoic Acid
IUPAC Name: 3-methoxy-4-nitrobenzoic acid | CAS Registry Number: 5081-36-7
Synonyms: 3-Methoxy-4-nitrobenzoic acid, 184306_ALDRICH, Benzoic acid, 3-methoxy-4-nitro-, EINECS 225-793-2, NSC148471, ST5406683, TL8003366

Molecular Formula: C8H7NO5Molecular Weight: 197.144880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: PWURRRRGLCVBMX-UHFFFAOYSA-N

• 3-Nitro-O-Cresol
IUPAC Name: 2-methyl-3-nitrophenol | CAS Registry Number: 5460-31-1
Synonyms: 2-Methyl-3-nitrophenol, 3-Nitro-o-cresol, Phenol, 2-methyl-3-nitro-, 2-Hydroxy-6-nitrotoluene, 6-Hydroxy-2-nitrotoluene, 106941_ALDRICH, 3-NITRO-2-METHYL PHENOL, NSC25009, EINECS 226-739-0, SBB008485, ZINC00163570, FR-2158, TL8003577, InChI=1/C7H7NO3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H

Molecular Formula: C7H7NO3Molecular Weight: 153.135380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GAKLFAZBKQGUBO-UHFFFAOYSA-N

• 4-Cyanobenzoic Acid Methyl Ester
IUPAC Name: methyl 4-cyanobenzoate | CAS Registry Number: 1129-35-7
Synonyms: Methyl 4-cyanobenzoate, 230634_ALDRICH, 4-Cyanobenzoic acid methyl ester, EINECS 214-443-4, Benzoic acid, p-cyano-, methyl ester, Benzoic acid, 4-cyano-, methyl ester, ZINC00155229, LS-184908, ST5407998, AC-907/25014377, InChI=1/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KKZMIDYKRKGJHG-UHFFFAOYSA-N

• 4,4'-Bipyridine
IUPAC Name: 4-pyridin-4-ylpyridine | CAS Registry Number: 553-26-4
Synonyms: 4,4'-Bipyridyl, 4,4'-Dipyridine, Bipyridine, 4,4-Bipyridyl, 4,4-Dipyridyl, 4-(4-Pyridyl)pyridine, gamma,gamma'-Bipyridyl, gamma,gamma'-Dipyridyl, 4,4'-DIPYRIDYL, 4,4-Bipyridin, 4,4'-Dipyridyl hydrate, nchem.100-comp11, .gamma.,.gamma.'-Bipyridyl, Maybridge3_006249, Dopamine Nmethyltransferase, 4,4'-bpy, CCRIS 2363, .gamma.,.gamma.'-Dipyridyl, CBDivE_014486, MLS000702205

Molecular Formula: C10H8N2Molecular Weight: 156.183920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MWVTWFVJZLCBMC-UHFFFAOYSA-N

• 2,5-Dihydroxybenzaldehyde
IUPAC Name: 2,5-dihydroxybenzaldehyde | CAS Registry Number: 1194-98-5
Synonyms: Gentisaldehyde, Gentisate aldehyde, Ambap5842, Benzaldehyde, 2,5-dihydroxy-, 2,5-DHBAOP, NCIOpen2_000629, D108200_ALDRICH, CHEBI:28508, 2,5-Dihydroxybenzaldehyde polymer, AIDS220859, AIDS220866, AIDS-220859, AIDS-220866, CID70949, NSC72387, EINECS 214-789-6, NSC 72387, ZINC00895809, C05585, InChI=1/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CLFRCXCBWIQVRN-UHFFFAOYSA-N

• 3-Amino-4-hydroxybenzoic acid
IUPAC Name: 3-amino-4-hydroxybenzoic acid | CAS Registry Number: 1571-72-8
Synonyms: Oprea1_298249, Benzoic acid, 3-amino-4-hydroxy-, 289647_ALDRICH, 3,4-AHBA, NSC700601, AIDS020062, AIDS-020062, EINECS 216-390-2, SBB006740, NSC 700601, C12115, InChI=1/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11

Molecular Formula: C7H7NO3Molecular Weight: 153.135380 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: MRBKRZAPGUCWOS-UHFFFAOYSA-N

• 4-Bromobenzene-1,2-diamine
IUPAC Name: 4-bromobenzene-1,2-diamine | CAS Registry Number: 1575-37-7
Synonyms: 4-Bromo-2-aminoaniline, 4-Bromo-1,2-benzenediamine, 4-Bromo-o-phenylenediamine, 2-amino-4-bromophenylamine, 4-Bromo-1,2-diaminobenzene, 640441_ALDRICH, ZINC00158488, ALBB-006246, CID323593, NSC285110, ST5331778, TL8001190, AQ-358/42003067

Molecular Formula: C6H7BrN2Molecular Weight: 187.037180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WIHHVKUARKTSBU-UHFFFAOYSA-N

• 1-N-Boc-4-methylenepiperidine
IUPAC Name: tert-butyl 4-methylidenepiperidine-1-carboxylate | CAS Registry Number: 159635-49-1
Synonyms: 1-Boc-4-methylene-piperidine, ZINC02382864, CID2756808, FS010917

Molecular Formula: C11H19NO2Molecular Weight: 197.274060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PDTZMULNKGUIEJ-UHFFFAOYSA-N

• 2-Methoxynicotinic acid
IUPAC Name: 2-methoxypyridine-3-carboxylate | CAS Registry Number: 16498-81-0
Synonyms: ZINC00096049, CID6924648

Molecular Formula: C7H6NO3-Molecular Weight: 152.127440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: FTEZJSXSARPZHJ-UHFFFAOYSA-M

• 2-Fluoro-5-nitrobenzonitrile
IUPAC Name: 2-fluoro-5-nitrobenzonitrile | CAS Registry Number: 17417-09-3
Synonyms: 544221_ALDRICH, ZINC00167117, CID519417, ST5406879, TL80074087

Molecular Formula: C7H3FN2O2Molecular Weight: 166.109323 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YLACBMHBZVYOAP-UHFFFAOYSA-N

• 5-Bromo-2-fluorobenzonitrile
IUPAC Name: 5-bromo-2-fluorobenzonitrile | CAS Registry Number: 179897-89-3
Synonyms: 465259_ALDRICH, ZINC00155138, ST5319387, TL800742030, InChI=1/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3

Molecular Formula: C7H3BrFNMolecular Weight: 200.007823 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GYCNHFWRPJXTSB-UHFFFAOYSA-N

• 4-Amino-2-methylpyridine
IUPAC Name: 2-methylpyridin-4-amine | CAS Registry Number: 18437-58-6
Synonyms: 4-Amino-2-picoline, 2-methylpyridin-4-amine, 2-methyl-4-aminopyridine, SBB027134, 2-methyl-4-pyridylamine, 4-amino-6-picoline, PubChem1118, AC1Q4WVC, SureCN266271, AC1LE18V, AC1Q2P3G, 4-pyridinamine, 2-methyl-, 2-Methyl-pyridin-4-ylamine, KSC490S3R, 662712_ALDRICH, ACMC-1C864, Jsp003779, CTK3D3676, CTK3J0938, 4(1H)-Pyridinimine, 2-methyl-

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GNCLPNMQEGMNTG-UHFFFAOYSA-N

• 3-Fluoro-2-methylbenzonitrile
IUPAC Name: 3-fluoro-2-methylbenzonitrile | CAS Registry Number: 185147-06-2
Synonyms: ZINC02510745, JRD-1880, CID2779238, TL8001493

Molecular Formula: C8H6FNMolecular Weight: 135.138343 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DMQFTNHJWVKVGE-UHFFFAOYSA-N

• 4-Amino-3-methylpyridine
IUPAC Name: 3-methylpyridin-4-amine | CAS Registry Number: 1990-90-5
Synonyms: Phillips 1908, 4-Amino-3-picoline, Philips 1908, 3-Picoline, 4-amino-, 3-Methyl-4-pyridinamine, 3-Methylpyridin-4-amine, 3-Methyl-4-aminopyridine, 4-Pyridinamine, 3-methyl-, 3-methyl-4-pyridinylamine, WLN: T6NJ C1 DZ, TPC-PY103, EINECS 217-872-5, NSC 52454, NSC52454, 4-Pyridinamine, 3-methyl- (9CI), BRN 0107957, STK206059, LS-109609, TL8001645, 5-22-09-00286 (Beilstein Handbook Reference)

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VGJLGPCXUGIXRQ-UHFFFAOYSA-N

• 4-Bromo-2-fluorophenol
IUPAC Name: 4-bromo-2-fluorophenol | CAS Registry Number: 2105-94-4
Synonyms: Phenol, 4-bromo-2-fluoro-, 316296_ALDRICH, ZINC00409378, TL8001744, T5655052

Molecular Formula: C6H4BrFOMolecular Weight: 190.997763 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RYVOZMPTISNBDB-UHFFFAOYSA-N


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