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• 2,4-Dinitroaniline
IUPAC Name: 2,4-dinitroaniline | CAS Registry Number: 97-02-9
Synonyms: 2,4-DINITROANILINE, Aniline, 2,4-dinitro-, 2,4-Dinitraniline, Benzenamine, 2,4-dinitro-, 2,4-Dinitroanilin, 2,4-Dinitroanilina, 2,4-Dinitrobenzenamine, 2,4-Dinitrophenylamine, 1-Amino-2,4-dinitrobenzene, WLN: WNR BZ ENW, 2,4-Dinitroanilin [German], 2,4-Dinitroanilina [Italian], CCRIS 2872, ghl.PD_Mitscher_leg0.930, HSDB 1142, D193011_ALDRICH, 45963_RIEDEL, NCI-C60753, NSC 8731, EINECS 202-553-5

Molecular Formula: C6H5N3O4Molecular Weight: 183.121600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LXQOQPGNCGEELI-UHFFFAOYSA-N

• 2-Amino-3,5-Dibromobenzaldehyde
IUPAC Name: 2-amino-3,5-dibromobenzaldehyde | CAS Registry Number: 50910-55-9
Synonyms: 2-Amino-3,5-dibromobenzaldehyde, 463469_ALDRICH, 2-amino-3,5-dibromo-benzaldehyde, EINECS 256-841-0, ZINC00057067, ST5307760, TL8003379, InChI=1/C7H5Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H

Molecular Formula: C7H5Br2NOMolecular Weight: 278.928700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RCPAZWISSAVDEA-UHFFFAOYSA-N

• 2-Amino-4-Nitrophenol
IUPAC Name: 2-amino-4-nitrophenol | CAS Registry Number: 99-57-0
Synonyms: p-Nitro-o-aminophenol, 2-AMINO-4-NITROPHENOL, ursol 4gl, 4-Nitro-2-aminophenol, 2-Hydroxy-5-nitroaniline, Rodol 42, Phenol, 2-amino-4-nitro-, 4-Nitro-2-aminofenol, p-Nitroaminofenol [Polish], 3-Amino-4-hydroxynitrobenzene, 2-Amino-4-nitro-phenol, WLN: ZR BQ ENW, CCRIS 890, NCI-C55958, 1-Nitro-3-amino-4-hydroxybenzene, 2-Amino-4-nitrofenol [Czech], 4-Nitro-2-aminofenol [Czech], A70402_ALDRICH, HSDB 4165, MLS000331524

Molecular Formula: C6H6N2O3Molecular Weight: 154.123440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: VLZVIIYRNMWPSN-UHFFFAOYSA-N

• 2-Aminoethylsulphonic Acid
IUPAC Name: 2-aminoethanesulfonic acid | CAS Registry Number: 107-35-7
Synonyms: taurine, tauphon, 2-aminoethanesulfonic acid, L-Taurine, taufon, 2-Sulfoethylamine, O-Due, Taukard, Taurinum [Latin], Aminoethanesulfonic acid, Taurina [Spanish], Taurine [INN], 2-Aminoethylsulfonic acid, aminoethylsulfonic acid, Taurine (TN), beta-Aminoethylsulfonic acid, Taurine (8CI), aminoetylsulphonic acid, 2-aminoethyl sulfonate, ethylaminesulphonic acid

Molecular Formula: C2H7NO3SMolecular Weight: 125.146880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XOAAWQZATWQOTB-UHFFFAOYSA-N

• 2-Methyl-4-Methoxy-Diphenylamine (ANMT)
IUPAC Name: 4-methoxy-2-methyl-N-phenylaniline | CAS Registry Number: 41317-15-1
Synonyms: CBMicro_015444, Oprea1_800706, MLS000061199, 4-Methoxy-N-phenyl-o-toluidine, 4-Methoxy-2-Methyl Diphenylamine, 4-methoxy-2-methyl-N-phenylaniline, EINECS 255-310-0, ZINC00236039, (4-methoxy-2-methylphenyl)phenylamine, Benzenamine, 4-methoxy-2-methyl-N-phenyl-, SMR000069267, BIM-0015468.P001, TL8006524

Molecular Formula: C14H15NOMolecular Weight: 213.275000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CYMPUOGZUXAIMY-UHFFFAOYSA-N

• 3-Hydroxybenzaldehyde
IUPAC Name: 3-hydroxybenzaldehyde | CAS Registry Number: 100-83-4
Synonyms: m-Formylphenol, 3-hydroxybenzaldehyde, 3-Formylphenol, m-Hydroxybenzaldehyde, Benzaldehyde, 3-hydroxy-, meta-Hydroxybenzaldehyde, Benzaldehyde, m-hydroxy-, 3-OH-BENZALDEHYDE, H19808_ALDRICH, 3-HYDROXY-BENZALDEHYDE, NSC 3504, CHEBI:16207, EINECS 202-892-9, NSC3504, BRN 0507099, c0055, ZINC00901630, AI3-12120, LS-25059, ST5213351

Molecular Formula: C7H6O2Molecular Weight: 122.121340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IAVREABSGIHHMO-UHFFFAOYSA-N

• 3-Pyridine Carboxamide
IUPAC Name: pyridine-3-carboxamide | CAS Registry Number: 98-92-0
Synonyms: nicotinamide, niacinamide, vitamin PP, 3-Pyridinecarboxamide, Aminicotin, Amixicotyn, Papulex, Nikotinamid, Savacotyl, Endobion, Hansamid, Nicobion, vitamin B3, Benicot, Dipegyl, Pelmine, Delonin amide, Pelonin amide, Nicotililamido, Nicosylamide

Molecular Formula: C6H6N2OMolecular Weight: 122.124640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DFPAKSUCGFBDDF-UHFFFAOYSA-N

• 4 Cap
IUPAC Name: 2-amino-4-chlorophenol | CAS Registry Number: 95-85-2
Synonyms: Fouramine PY, 2-Amino-4-chlorophenol, p-Chloro-o-aminophenol, 4-Chloro-2-aminophenol, 2-Hydroxy-5-chloroaniline, 5-CHLORO-2-HYDROXYANILINE, C.I. Oxidation Base 18, Phenol, 2-amino-4-chloro-, CCRIS 4579, C44400_ALDRICH, EINECS 202-458-9, CID7265, UN2673, AIDS019916, NSC 247814, AIDS-019916, BRN 0774859, NSC247814, SBB007588, ZINC00404323

Molecular Formula: C6H6ClNOMolecular Weight: 143.570940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SWFNPENEBHAHEB-UHFFFAOYSA-N

• 1-Phenyl-1,2-propanedione
IUPAC Name: 1-phenylpropane-1,2-dione | CAS Registry Number: 579-07-7
Synonyms: Acetylbenzoyl, Benzoylacetyl, Acetyl benzoyl, Pyruvophenone, Methylphenylglyoxal, Phenylmethyldiketone, Benzoyl methyl ketone, Methyl phenyl glyoxal, 1-Phenylpropane-1,2-dione, Methyl phenyl diketone, Phenyl methyl diketone, 1,2-Propanedione, 1-phenyl-, 3-Phenyl-2,3-propanedione, 1-PHENYL-1,2-PROPANEDIONE, 1-phenyl-1,2-propandione, FEMA No. 3226, CCRIS 6297, W322601_ALDRICH, 223034_ALDRICH, NSC 7643

Molecular Formula: C9H8O2Molecular Weight: 148.158620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BVQVLAIMHVDZEL-UHFFFAOYSA-N

• (1S,2S)-(+)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
IUPAC Name: (1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol | CAS Registry Number: 2964-48-9
Synonyms: Ambap1612, 471674_ALDRICH, NSC12466, L-()-threo-2-Amino-1-(4-nitrophenyl)-1,3-propanediol, (1S,2S)-()-2-Amino-1-(4-nitrophenyl)-1,3-propanediol, InChI=1/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m0/s

Molecular Formula: C9H12N2O4Molecular Weight: 212.202580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: OCYJXSUPZMNXEN-IUCAKERBSA-N

• 3,5-Dinitroanisole
IUPAC Name: 1-methoxy-3,5-dinitrobenzene | CAS Registry Number: 5327-44-6
Synonyms: Anisole, 3,5-dinitro-, Ambap6064, Benzene, 1-methoxy-3,5-dinitro-, NSC3331, 1-Methoxy-3,5-dinitrobenzene, NSC 3331, CID79231, AI3-19029, LS-20211

Molecular Formula: C7H6N2O5Molecular Weight: 198.132940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: OTMLGCBMOMNGCV-UHFFFAOYSA-N

• 4-(4-Bromophenyl)thiazole
IUPAC Name: 4-(4-bromophenyl)-1,3-thiazole | CAS Registry Number: 1826-20-6
Synonyms: 4-(4-bromophenyl)-1,3-thiazole, AC1N92ZJ, SureCN6512842, Thiazole,4-(4-bromophenyl)-, CTK4D8246, MolPort-008-567-643, ANW-69316, FC0902, ZINC01520197, AKOS015915314, AG-E-32449, MCULE-3767659924, AK-31748, KB-186935, FT-0652810, ST51055426, EN300-79246, A812713, I14-6484, Thiazole,4-(p-bromophenyl)- (7CI,8CI);4-(4-Bromophenyl)-1,3-thiazole;4-(4-Bromophenyl)thiazole;

Molecular Formula: C9H6BrNSMolecular Weight: 240.119640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SZHUYYAEKCCJAR-UHFFFAOYSA-N

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

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

InChIKey: GBWPQBYOAUWWLS-UHFFFAOYSA-N

• 1-Cbz-2-Piperidinecarboxaldehyde
IUPAC Name: benzyl 2-formylpiperidine-1-carboxylate | CAS Registry Number: 105706-76-1
Synonyms: 1-Cbz-Piperidine-2-Aldehyde, benzyl 2-formylpiperidine-1-carboxylate, 1-CBZ-2-FORMYLPIPERIDINE, 2-Formyl-piperidine-1-carboxylic acid benzyl ester, N-CBZ-2-FORMYLPIPERIDINE, AG-D-19495, N-CBZ-PIPERIDINE-2-CARBALDEHYDE, 1-Piperidinecarboxylicacid, 2-formyl-, phenylmethyl ester, 1-PIPERIDINECARBOXYLIC ACID, 2-FORMYL-, PHENYLMETHYL ESTER, PubChem17510, AC1Q6Q9G, AGN-PC-01V6L9, ACMC-20a832, CTK4A4032, MolPort-001-794-040, 1-N-CBZ-2-FORMYLPIPERIDINE, ACT07181, ANW-61404, RW1057, AKOS015855825

Molecular Formula: C14H17NO3Molecular Weight: 247.289680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DIFLGEVEAZQPMO-UHFFFAOYSA-N

• 1h-Pyrazolo[4,3-B]pyridine
IUPAC Name: 1H-pyrazolo[4,3-b]pyridine | CAS Registry Number: 272-52-6
Synonyms: 1H-pyrazolo[4,3-b]pyridine, 4-Aza-1H-indazole, 2H-PYRAZOLO[4,3-B]PYRIDINE, PYRAZOLOPYRIDINE, Pyrazolo[4,3-b]pyridine, pyridopyrazole, AG-E-86798, 272-51-5, PubChem19278, SureCN10290, SureCN881756, CTK1A0885, ANW-47267, WT1228, WTI-11439, AKOS006280755, AKOS016003571, OR30695, PB32568, QC-9900

Molecular Formula: C6H5N3Molecular Weight: 119.124000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AMFYRKOUWBAGHV-UHFFFAOYSA-N

• 1-Cbz-Piperazine
IUPAC Name: benzyl piperazin-4-ium-1-carboxylate | CAS Registry Number: 31166-44-6
Synonyms: ZINC04977160, CID7438997

Molecular Formula: C12H17N2O2+Molecular Weight: 221.275580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CTOUWUYDDUSBQE-UHFFFAOYSA-O

• 1-Cbz-Dl-Betaprolinol
IUPAC Name: benzyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate | CAS Registry Number: 315718-05-9
Synonyms: 1-Cbz-3-hydroxymethylpyrrolidine, C40020

Molecular Formula: C13H17NO3Molecular Weight: 235.278980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZRMWRJLLAVAFQP-UHFFFAOYSA-N

• 6-Chloro-1,2,3,4-Tetrahydroisoquinoline Hydrochloride
IUPAC Name: 6-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride | CAS Registry Number: 33537-97-2
Synonyms: SureCN947776, CTK8B8994, MolPort-003-985-452, ACT10670, ANW-61757, AKOS015958729, RP26065, AK-30484, KB-73898, A20002, 6-CHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE HCL, F9995-1263, 6-CHLORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE HYDROCHLORIDE

Molecular Formula: C9H11Cl2NMolecular Weight: 204.096340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: IQGWYVRWBOWTQJ-UHFFFAOYSA-N

• 3-(hydroxymethyl)-3-Boc-Amino-Pyrrolidin
IUPAC Name: tert-butyl N-[3-(hydroxymethyl)pyrrolidin-3-yl]carbamate | CAS Registry Number: 475469-15-9
Synonyms: tert-butyl 3-(hydroxymethyl)pyrrolidin-3-ylcarbamate, tert-butyl3-(hydroxymethyl)pyrrolidin-3-ylcarbamate, (3-Hydroxymethyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester, (3-HYDROXYMETHYLPYRROLIDIN-3-YL)CARBAMIC ACID TERT-BUTYL ESTER, SureCN4726064, CTK8A2035, Tert-butyl N-[3-(hydroxymethyl)pyrrolidin-3-yl]carbamate, MolPort-003-795-878, SBB062916, AKOS005145507, AG-A-03889, RP26982, AK-30477, BB 0261079, FT-0682219, I11-0300

Molecular Formula: C10H20N2O3Molecular Weight: 216.277400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: AXNAHFQBVPFTPL-UHFFFAOYSA-N

• 1-Boc-Piperazine
IUPAC Name: tert-butyl piperazine-1-carboxylate | CAS Registry Number: 57260-72-7
Synonyms: 1-Boc-piperazine, N-Boc-piperazine, tert-butyl piperazine-1-carboxylate, 57260-71-6, 1-N-Boc-piperazine, tert-Butyl 1-piperazinecarboxylate, 1-(tert-Butoxycarbonyl)piperazine, 143238-38-4, boc-piperazine, N-t-Butoxycarbonylpiperazine, piperazine-1-carboxylic acid tert-butyl ester, N-tert-butoxycarbonylpiperazine, t-Butyl 1-piperazincarboxylate, n-(t-boc)piperazine, n-(tert-butoxycarbonyl)piperazine, tert-butyl tetrahydropyrazine-1(2h)-carboxylate, piperazine, n1-boc protected, tert-butyl piperazinecarboxylate, t-Butyl 1-piperaziencarboxylate, n-tert-butyloxycarbonylpiperazine

Molecular Formula: C9H18N2O2Molecular Weight: 186.251420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CWXPZXBSDSIRCS-UHFFFAOYSA-N

• (s)-2-Methyl-Pyrrolidine
IUPAC Name: (2S)-2-methylpyrrolidine | CAS Registry Number: 59335-84-1
Synonyms: (S)-2-METHYLPYRROLIDINE, (S)-2-Methyl-pyrrolidine, (2S)-2-methylpyrrolidine, AG-G-11430, PubChem15594, SureCN489083, AC1OE5J8, KSC497O8H, PYR168, (S)-(+)-2-Methylpyrrolidine, CTK3J7783, MolPort-001-768-757, Pyrrolidine, 2-methyl-, (2S)-, ANW-33231, OR4618, RW1009, AKOS005146101, AKOS015840230, RP18435, AK-49963

Molecular Formula: C5H11NMolecular Weight: 85.147540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RGHPCLZJAFCTIK-YFKPBYRVSA-N

• 1-Boc-3-Pyrrolidinecarbaldehyde
IUPAC Name: tert-butyl 3-formylpyrrolidine-1-carboxylate | CAS Registry Number: 59379-02-1
Synonyms: AmbTiB50640, 1-Boc-3-pyrrolidinecarbaldehyde, CID4692112, Tert-butyl 3-formylpyrrolidine-1-carboxylate, B50640

Molecular Formula: C10H17NO3Molecular Weight: 199.246880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DWLADVOODHZCFV-UHFFFAOYSA-N

• 8-Chloro-1,2,3,4-Tetrahydroisoquinoline Hydrochloride
IUPAC Name: 8-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride | CAS Registry Number: 61563-33-5
Synonyms: 8-CHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE, 8-Chloro-1,2,3,4-tetrahydro-isoquinoline HCl, SureCN1124149, MolPort-020-015-572, ACT10758, ANW-61755, AKOS015958702, AG-G-24497, AK-30486, KB-74237, 8-Chhloro-1,2,3,4-tetrahydroisoquinoline hydrochloride, 8-Chloro-1,2,3,4-tetrahydro-isoquinoline hydrochloride

Molecular Formula: C9H11Cl2NMolecular Weight: 204.096340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: PYSJYEZRPVRRLV-UHFFFAOYSA-N

• 1-Cbz-4-Methylenepiperidine
IUPAC Name: benzyl 4-methylidenepiperidine-1-carboxylate | CAS Registry Number: 138163-12-9
Synonyms: benzyl 4-methylenepiperidine-1-carboxylate, 1-Cbz-4-methylene-piperidine, 1-BENZYLOXYCARBONYL-4-METHYLENEPIPERIDINE, 1-PIPERIDINECARBOXYLIC ACID, 4-METHYLENE-, PHENYLMETHYL ESTER, PubChem17508, AGN-PC-00PJ0K, SureCN2454574, 1-Cbz-4-methyl ene-piperidine, CTK4C1128, MolPort-004-969-031, ANW-63006, RW1040, ZINC34577225, 1-N-CBZ-4-METHYLENEPIPERIDINE, AKOS015969325, AG-D-77270, PB14744, AK-97233, AM803190, FS010916

Molecular Formula: C14H17NO2Molecular Weight: 231.290280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FQLKVNIQHUASLU-UHFFFAOYSA-N

• (s)-1-Boc-4-Cbz-2-Piperazinecarboxylic Acid
IUPAC Name: (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid | CAS Registry Number: 138775-03-8
Synonyms: (S)-N-1-Boc-N-4-Cbz-2-piperazine carboxylic acid, (s)-1-boc-4-cbz-2-piperazine carboxylic acid, (s)-4-(benzyloxycarbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid, n-boc-[(4-n-z)piperazine(2s)cooh], 1-boc-4-cbz-piperazine-2-(s)-carboxylic acid, (S)-N-1-Boc-N-4-Cbz-2-piperazinecarboxylicacid, (s)-piperazine-1,2,4-tricarboxylic acid 4-benzyl ester 1-tert-butyl ester, (S)-4-((Benzyloxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid, (S)-N-1-Boc-N-4-Cbz-2-piperazinecarboxylic acid, PubChem11696, (R)-N-1-Boc-N-4-Cbz-2-piperazinecarboxylicacid, SureCN1375861, CTK4B6249, MolPort-002-501-559, 129365-23-7, ANW-59925, AKOS015994907, AB11012, AG-D-59853, AC-19571

Molecular Formula: C18H24N2O6Molecular Weight: 364.392960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: SREPAMKILVVDSP-AWEZNQCLSA-N

• 2-(tert-Butoxycarbonyl)-1,2,3,4-Tetrahydroisoquinoline-7-Carboxylic Acid
IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid | CAS Registry Number: 149353-95-7
Synonyms: 2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLIC ACID, 3,4-Dihydro-1H-isoquinoline-2,7-dicarboxylic acid 2-tert-butyl ester, N-Boc-1,2,3,4-Tetrahydroisoquinoline-7-carboxylic acid, 2-Boc-1,2,3,4-Tetrahydroisoquinoline-7-Carboxylic Acid, SureCN622590, CTK7G2918, MolPort-000-003-250, ANW-53174, AKOS015910720, AG-A-47993, PB18583, AK-33374, KB-67018, FT-0650108, A20060, D57111, I14-40329, N-BOC-7-HYDROXYCARBONYL-1,2,3,4-TETRAHYDROISOQUINOLINE, 2,7(1H)-ISOQUINOLINEDICARBOXYLIC ACID, 3,4-DIHYDRO-, 2-(1,1-DIMETHYLETHYL) ESTER

Molecular Formula: C15H19NO4Molecular Weight: 277.315660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FOOWPXAXLKCQAE-UHFFFAOYSA-N

• 1-Boc-4-Carboxymethoxy-Piperidine
IUPAC Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetate | CAS Registry Number: 161948-70-5
Synonyms: ZINC01420805, CID6987532

Molecular Formula: C12H20NO5-Molecular Weight: 258.290900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: YHUAHIMRWSVXCN-UHFFFAOYSA-M

• 1-Boc-4-Piperidinylpropionic Acidmethyl Ester
IUPAC Name: tert-butyl 4-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate | CAS Registry Number: 162504-75-8
Synonyms: Methyl N-Boc-4-piperidinepropionate, ZINC01420816, CID1502093, M17241, Tert-butyl 4-(2-methoxycarbonylethyl)piperidine-1-carboxylate

Molecular Formula: C14H25NO4Molecular Weight: 271.352600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RWDYQFGCHAJYOJ-UHFFFAOYSA-N

• 2-(tert-Butoxycarbonyl)-1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic Acid
IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid | CAS Registry Number: 170097-67-3
Synonyms: AmbTiD57110, CID11357887, D57110, 3,4-Dihydro-1H-isoquinoline-2,6-dicarboxylic acid 2-tert-butyl ester, 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic Acid

Molecular Formula: C15H19NO4Molecular Weight: 277.315660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UHOIFEOHBGCPHE-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydroisoquinoline-6-Carbonitrile Hydrochloride
IUPAC Name: 1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride | CAS Registry Number: 171084-93-8
Synonyms: 1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBONITRILE HYDROCHLORIDE, 1,2,3,4-Tetrahydroisoquinoline-6-CarbonitrileHydrochloride, PubChem17098, SureCN4224148, CTK8C4441, MolPort-003-985-448, ANW-71960, AKOS015910683, MB05619, AK-60390, FT-0687590, 6-CYANO-1,2,3,4-TETRAHYDROISOQUINOLINE HCL, I14-40325, 1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBONITRILE HCL, 6-CYANO-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE, 6-ISOQUINOLINECARBONITRILE, 1,2,3,4-TETRAHYDRO-, HYDROCHLORIDE

Molecular Formula: C10H11ClN2Molecular Weight: 194.660740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: FYJDPVBTMLJVDX-UHFFFAOYSA-N

• 7-Methoxy-1,2,3,4-Tetrahydroisoquinoline Hydrochloride
IUPAC Name: 7-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride | CAS Registry Number: 1745-05-7
Synonyms: NSC88919, CID2752197, TL8001383, 7-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

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

InChIKey: RKDJBXYFUGOJRU-UHFFFAOYSA-N

• 1-N-Boc-Pyrrolidine-3-Acetic Acid
IUPAC Name: 2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetate | CAS Registry Number: 175526-97-3
Synonyms: ZINC01420822

Molecular Formula: C11H18NO4-Molecular Weight: 228.264920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: SKEXQIJIXQSFRX-MRVPVSSYSA-M

• 1-N-Boc-4-N-Bocpiperazine-2-Carboxylicacid
IUPAC Name: 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid | CAS Registry Number: 181955-79-3
Synonyms: 1,4-di-Boc-piperazine-2-carboxylic acid, 1-N-Boc-4-N-Boc-Piperazine-2-carboxylic acid, 1,4-bis(tert-butoxycarbonyl)piperazine-2-carboxylic acid, 1,4-Bis(N-Boc)piperazine-2-carboxylic acid, 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic Acid, 1-N-Boc-4-N-Boc-piperazine-2-carboxylicacid, 1,4-bis[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid, S-1,4-diBoc-piperazine-2-carboxylic acid, SureCN22227, AGN-PC-005E4R, Jsp003726, CTK7G3287, MolPort-003-985-295, ACT09164, ANW-49435, AKOS015836556, AB11019, AC-1804, AG-C-19730, MCULE-7517195210

Molecular Formula: C15H26N2O6Molecular Weight: 330.376740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: IIZGWFQKLVCLLA-UHFFFAOYSA-N

• 1-Cbz-Pyrrolidine-3-Carboxylic Acid
IUPAC Name: 1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid | CAS Registry Number: 188527-21-1
Synonyms: 1-Cbz-3-pyrrolidinecarboxylic acid, C67154

Molecular Formula: C13H15NO4Molecular Weight: 249.262500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JSASVUTVTRNJHA-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydroisoquinoline-7-Carbonitrile Hydrochloride
IUPAC Name: 1,2,3,4-tetrahydroisoquinoline-7-carbonitrile;hydrochloride | CAS Registry Number: 200137-81-1
Synonyms: 1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBONITRILE HYDROCHLORIDE, SureCN65520, CTK8B7420, MolPort-003-985-368, ANW-57253, AKOS016001525, AK-44578, KB-09942, T80026, 1,2,3,4-Tetrahydro-isoquinoline-7-carbonitrile HCl

Molecular Formula: C10H11ClN2Molecular Weight: 194.660740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NPCOFDGYVBVRLW-UHFFFAOYSA-N

• 1-Cbz-3-Piperidinecarboxaldehyde
IUPAC Name: benzyl (3S)-3-formylpiperidine-1-carboxylate | CAS Registry Number: 201478-72-0
Synonyms: ZINC02577450

Molecular Formula: C14H17NO3Molecular Weight: 247.289680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QKGTVOXHDCVOAW-ZDUSSCGKSA-N

• (r)-1-Boc-Pyrrolidine-3-Carboxylicacid
IUPAC Name: (2-propyl-1,2,4-triazol-3-yl)methanol | CAS Registry Number: 202931-85-9
Synonyms: 1H-1,2,4-TRIAZOLE-5-METHANOL, 1-PROPYL-, AGN-PC-01VLFJ, SureCN2647730, CTK4E3814, AKOS006294125, AB28082, AG-E-48703, KB-66590, 1H-1,2,4-Triazole-5-methanol,1-propyl-, FT-0660525, 1-Propyl-1H-[1,2,4]TRIAZOLE-5-methanol, (1-Propyl-1H-1,2,4-triazol-5-yl)methanol;, 1-PROPYL-1H-1,2,4-TRIAZOLE-5-METHANOL, (1-PROPYL-1H-1,2,4-TRIAZOL-5-YL)METHANOL, (2-PROPYL-2H-[1,2,4]TRIAZOL-3-YL)-METHANOL

Molecular Formula: C6H11N3OMolecular Weight: 141.171040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OUXGHJCAIAMWRQ-UHFFFAOYSA-N

• 4-Nitro-Pyrazole
IUPAC Name: 4-nitro-1H-pyrazole | CAS Registry Number: 2075-46-9
Synonyms: 4-Nitropyrazole, 4-Nitro-1H-pyrazole, 1H-Pyrazole, 4-nitro-, PYRAZOLE, 4-NITRO-, ZINC01049761, ALBB-004465, CID16376, ZERO/009309, STK263689, LS-128546, AF-625/00306041, A2533/0107753

Molecular Formula: C3H3N3O2Molecular Weight: 113.074820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XORHNJQEWQGXCN-UHFFFAOYSA-N

• 5-(trifluoromethyl)-1,2,3,4-Tetrahydroisoquinoline Hydrochloride
IUPAC Name: 5-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride | CAS Registry Number: 215788-34-4
Synonyms: 5-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE hydrochloride, 5-TRIFLUOROMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE, SureCN2260124, CTK8E1473, QC-7291, AK142076, KB-73083, 5-TRIFLUOROMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE HCL, 5-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride

Molecular Formula: C10H11ClF3NMolecular Weight: 237.649250 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ALVOQWQWCNJRBR-UHFFFAOYSA-N

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

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

InChIKey: BTLCQUCMNTUJNV-UHFFFAOYSA-N

• 6-Bromo-1,2,3,4-Tetrahydroisoquinoline Hydrochloride
IUPAC Name: 6-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride | CAS Registry Number: 215798-19-9
Synonyms: 6-BROMO-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE, 6-BROMO-1,2,3,4-TETRAHYDROISOQUINOLINE HCL, SureCN1017313, CTK8B5871, MolPort-009-199-119, ACT10700, ANW-50765, WTI-11538, AKOS015843826, MB05621, QC-4808, RP28828, AK-30488, BR-30488, KB-52961, AM20030358, W4477, Isoquinoline,6-bromo-1,2,3,4-tetrahydro-,hydrochloride, 6-BROMO-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORID, ISOQUINOLINE, 6-BROMO-1,2,3,4-TETRAHYDRO-, HYDROCHLORIDE

Molecular Formula: C9H11BrClNMolecular Weight: 248.547340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: ACCAGQFPUZGNNN-UHFFFAOYSA-N

• 2-(ethylamino)propiophenone Hydrochloride
IUPAC Name: 2-(ethylamino)-1-phenylpropan-1-one;hydrochloride | CAS Registry Number: 51553-17-4
Synonyms: 2-(Ethylamino)propiophenone hydrochloride, zlchem 1166, ACMC-20aon4, alpha-Ethylaminopropiophenone, hydrochloride, Ethcathinone Hydrochloride, AC1L9YL0, SureCN2955041, 311162_ALDRICH, CTK1H2908, RMI 8201A, ZLD0635, MolPort-003-929-854, ACT05948, AKOS015894751, AG-F-74640, BP-12813, KB-163429, FT-0640005, 2-(ethylamino)-1-phenylpropan-1-one hydrochloride, 2-(Ethylamino)-1-phenyl-1-propanone Hydrochloride

Molecular Formula: C11H16ClNOMolecular Weight: 213.703840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XCVDYVFUJZVVKL-UHFFFAOYSA-N

• 1-Boc-2-Piperidone
IUPAC Name: tert-butyl 2-oxopiperidine-1-carboxylate | CAS Registry Number: 85908-96-9
Synonyms: ZINC05240121, ALBB-009361, CID7577838, tert-butyl 2-oxopiperidine-1-carboxylate, TL8005597, 1,1-Dimethylethyl 2-oxopiperidine-1-carboxylate

Molecular Formula: C10H17NO3Molecular Weight: 199.246880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ULMHMJAEGZPQRY-UHFFFAOYSA-N

• (R)-1-Boc-piperazine-2-carboxylic acid
IUPAC Name: (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid | CAS Registry Number: 278788-60-6
Synonyms: (R)-1-N-Boc-Piperazine-2-carboxylic acid, AG-E-89050, (R)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid, (R)-Piperazine-1,2-dicarboxylic acid 1-tert-butyl ester, PubChem11693, SureCN1685922, CTK4G0383, MolPort-000-006-051, BH125, ACT08848, ANW-57959, FC0170, AKOS005259704, AKOS015911548, AC-2193, AM81369, RP05531, AK-29075, BR-29075, KB-02690

Molecular Formula: C10H18N2O4Molecular Weight: 230.260920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MPOFEHGMWPHBSF-SSDOTTSWSA-N

• (S)-1-N-Boc-piperazine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid | CAS Registry Number: 159532-59-9
Synonyms: (S)-1-Boc-piperazine-2-carboxylic acid, (S)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid, (S)-1-Boc-piperazine-2-carboxylicacid, (S)-4-Boc-Piperazine-3-carboxylic acid, (2S)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid, (S)-Piperazine-1,2-dicarboxylic acid 1-tert-butyl ester, PubChem11692, SureCN2480988, Jsp003161, CTK4D0106, MolPort-000-006-050, BH124, ACT08847, FC0169, SBB067499, AKOS005258543, AC-2194, AG-E-08862, AM81370, MB02268

Molecular Formula: C10H18N2O4Molecular Weight: 230.260920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MPOFEHGMWPHBSF-ZETCQYMHSA-N

• (R)-2-Methyl-pyrrolidine
IUPAC Name: (2R)-2-methylpyrrolidine | CAS Registry Number: 41720-98-3
Synonyms: 2-Methyl-pyrrolidine, Pyrrolidine, 2-methyl-, 2-METHYLPYRROLIDINE, 679097_ALDRICH, C-3166R, (R)-(−)-2-Methylpyrrolidine, InChI=1/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H

Molecular Formula: C5H11NMolecular Weight: 85.147540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RGHPCLZJAFCTIK-RXMQYKEDSA-N

• (R)-4-Cbz-2-methylpiperazine
IUPAC Name: benzyl (3R)-3-methylpiperazine-1-carboxylate | CAS Registry Number: 623586-00-5
Synonyms: (R)-benzyl 3-methylpiperazine-1-carboxylate, 4-CBZ-(R)-2-Methyl piperazine, (R)-1-CBZ-3-METHYL-PIPERAZINE, PubChem15223, SureCN13490134, (R)-1-CBz-3-methylpiperazine, CTK5B4952, ACT09922, AC-983, ANW-45213, AG-G-28950, AK-39041, KB-03360, KB-63141, (R)-benzyl-3-methylpiperazine-1-carboxylate, Benzyl(3R)-3-methylpiperazine-1-carboxylate, FT-0654118, W7439, B-1452, 1-Piperazinecarboxylicacid, 3-methyl-, phenylmethyl ester, (3R)-

Molecular Formula: C13H18N2O2Molecular Weight: 234.294220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JRPIQMPFKMFAOX-LLVKDONJSA-N

• (S)-4-Cbz-2-methylpiperazine
IUPAC Name: benzyl (3S)-3-methylpiperazine-1-carboxylate | CAS Registry Number: 612493-87-5
Synonyms: (S)-benzyl 3-methylpiperazine-1-carboxylate, AG-G-22953, ST094921, phenylmethyl (3S)-3-methylpiperazinecarboxylate, AC1OODQG, PubChem15224, SureCN2787453, (S)-1-Cbz-3-methylpiperazine, CTK2F2764, MolPort-005-933-970, 4-CBZ-(S)-2-Methyl piperazine, SBB066913, AKOS015839984, AKOS015897938, AC-12656, AK112426, KB-05537, KB-63442, (S)-benzyl-3-methylpiperazine-1-carboxylate, FT-0655773

Molecular Formula: C13H18N2O2Molecular Weight: 234.294220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JRPIQMPFKMFAOX-NSHDSACASA-N

• 6-Chloropyridazine-3-carboxylic acid
IUPAC Name: 6-chloropyridazine-3-carboxylic acid | CAS Registry Number: 5096-73-1
Synonyms: 6-chloropyridazine-3-carboxylic Acid, 3-Carboxy-6-chloropyridazine, 6-Chloropyridazine-3-carboxylicacid, 3-Chloropyridazine-6-carboxylic acid, SBB053231, 6-CHLORO-3-CARBOXY-PYRIDAZINE, 6-Chloro-3-pyridazine-carboxylic acid, 6-Chloro-pyridazine-3-carboxylic acid, AG-F-71860, 5096-73-1 6-Chloropyridazine-3-carboxylic acid, 6-CHLOROPYRIDAZINE-3-CARBOXYLIC, PubChem17692, ACMC-209kr6, AC1O4U1Q, KSC269E1B, AC1Q747A, CTK1G9210, MolPort-000-874-682, QC-61, 6-chloropyrazine-3-carboxylic acid

Molecular Formula: C5H3ClN2O2Molecular Weight: 158.542520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HHGZQZULOHYEOH-UHFFFAOYSA-N

• 9,10-Dihydro-9-oxoacridine
IUPAC Name: 10H-acridin-9-one | CAS Registry Number: 578-95-0
Synonyms: acridone, Acridanone, 9-Acridanone, 9-Acridone, Acridin-9-one, 9(10H)-ACRIDINONE, 9-Acridinol, 9(10H)-Acridone, acridin-9(10H)-one, 10H-acridin-9-one, 9(10H)-Acridanone, 7H-Dibenz(a,j)acrid-14-one, CCRIS 3317, Acridine, 9,10-dihydro-9-oxo-, MLS000551242, 150215_ALDRICH, ARONIS001302, 01670_FLUKA, CHEBI:50756, EINECS 209-434-7

Molecular Formula: C13H9NOMolecular Weight: 195.216660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FZEYVTFCMJSGMP-UHFFFAOYSA-N


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