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HBCChem, Inc.

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Web: http://www.hbcchem-inc.com
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Profile: HBCChem, Inc. specializes in fine chemicals and custom synthesis. Our fine chemicals include esmolo hydrochloride, 1-ethyl-2,3-dioxopiperazine, oxprenolol succinate, tienoxolol hydrochloride and orlistat. Our main chemical products include unnatural amino acids, hydrazine, piperazine, 5-member & 6-member heterocylic compounds, and organometallic catalysts. Pyrrolidine is found naturally in the leaves of tobacco and carrot. The pyrrolidine ring structure is present in numerous natural alkaloids such as nicotine and hygrine. It is found in many pharmaceutical drugs such as procyclidine and bepridil.

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• 1-(4-Chlorophenyl)cyclobutanecarbonitrile
IUPAC Name: 1-(4-chlorophenyl)cyclobutane-1-carbonitrile | CAS Registry Number: 28049-61-8
Synonyms: 160008_ALDRICH, NSC154613, CID98621, EINECS 248-799-7, ZINC00388379, ST5405608, 1-(4-Chlorophenyl)-1-cyclobutanecarbonitrile

Molecular Formula: C11H10ClNMolecular Weight: 191.656800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XQONXPWVIZZJIL-UHFFFAOYSA-N

• 2,2'-Azobis(2,4-dimethylvaleronitrile)
IUPAC Name: 2-(2-cyano-4-methylpentan-2-yl)diazenyl-2,4-dimethylpentanenitrile | CAS Registry Number: 4419-11-8
Synonyms: EINECS 224-583-8, Pentanenitrile, 2,2'-azobis(2,4-dimethyl-, 116584-22-6, 131445-37-9

Molecular Formula: C14H24N4Molecular Weight: 248.367160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: WYGWHHGCAGTUCH-UHFFFAOYSA-N

• 1,1-Diphenylhydrazine hydrochloride
IUPAC Name: 1,1-di(phenyl)hydrazine | CAS Registry Number: 530-47-2
Synonyms: Hydrozobenzene, N,N-Diphenylhydrazine, Hydrazine, 1,1-diphenyl-, Hydrazine, 1,1-diphenyl, 1,1-DIPHENYLHYDRAZINE, alpha,alpha-Diphenylhydrazine, CCRIS 4562, HSDB 2916, .alpha.,.alpha.-Diphenylhydrazine, NCI-C01854, EINECS 208-483-1, BB_SC-0087, CID10739, BRN 0957349, ZINC00388098, AI3-23023, NCGC00164042-01, LS-76776, TL8000604, 4-15-00-00055 (Beilstein Handbook Reference)

Molecular Formula: C12H12N2Molecular Weight: 184.237080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YHYKLKNNBYLTQY-UHFFFAOYSA-N

• 2,4-Dichloro Phenyl Acetic Acid
IUPAC Name: 2-(2,4-dichlorophenyl)acetic acid | CAS Registry Number: 19719-28-9
Synonyms: 2,4-Dichlorophenylacetic acid, ghl.PD_Mitscher_leg0.656, 259233_ALDRICH, Benzeneacetic acid, 2,4-dichloro-, NSC54853, EINECS 243-248-7, NSC 54853, SBB003502, 2,4-DICHLOROPHENYL ACETIC ACID, InChI=1/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12

Molecular Formula: C8H6Cl2O2Molecular Weight: 205.038040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GXMWLJKTGBZMBH-UHFFFAOYSA-N

• 2-H-Imidazole-1-carboxaldehyde
IUPAC Name: 1H-imidazole-2-carbaldehyde | CAS Registry Number: 10111-08-7
Synonyms: 2-Formylimidazole, Imidazole-2-carboxaldehyde, 1H-Imidazole-2-carbaldehyde, 1H-IMIDAZOLE-2-CARBOXALDEHYDE, 272000_ALDRICH, ALBB-006207, SBB004383, ZINC01069165, F2135G1

Molecular Formula: C4H4N2OMolecular Weight: 96.087360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XYHKNCXZYYTLRG-UHFFFAOYSA-N

• 2-Aminothiazol-4-acetic acid
IUPAC Name: 2-(2-amino-1,3-thiazol-4-yl)acetic acid | CAS Registry Number: 29676-71-9
Synonyms: 2-AMINO-4-THIAZOLEACETIC ACID, 249696_ALDRICH, EINECS 249-769-6, (2-Aminothiazole-4-yl)acetic acid, SBB003994, LS-1140, NCGC00091091-01, (2-Amino-1,3-thiazol-4-yl)acetic acid

Molecular Formula: C5H6N2O2SMolecular Weight: 158.178340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DYCLHZPOADTVKK-UHFFFAOYSA-N

• 2,5-Diamino Toluene Sulfate
IUPAC Name: 2-methylbenzene-1,4-diamine; sulfuric acid | CAS Registry Number: 615-50-9
Synonyms: Fouramine STD, 2,5-Diaminotoluene sulfate, 2,5-Toluenediamine sulfate, oxidation base 14, CI Oxidation Base 4, C.I. Oxidation Base 4, ox idation base 14, p-Tolylenediamine sulfate, para-Toluenediamine sulphate, Toluene-2,5-diamine, sulfate, P-TOLUENEDIAMINE SULFATE, p-Toluylenediamine sulfate, para-Toluylenediamine sulphate, Toluene-2,5-diamine sulfate, CCRIS 595, para-Toluenediamine sulfate, Toluene-2,5-diamine sulphate, Toluylene-2,5-diamine sulfate, NCI-C01832, Toluylene-2,5-diamine sulphate

Molecular Formula: C7H12N2O4SMolecular Weight: 220.246180 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: KZTWOUOZKZQDMN-UHFFFAOYSA-N

• 2,4 - Diaminophenoxy Ethanol Hydrochloride
IUPAC Name: 2-(2,4-diaminophenoxy)ethanol | CAS Registry Number: 70643-19-5
Synonyms: 2,4-Diaminophenoxyethanol, 2-(2',4'-Diaminophenoxy)ethanol, EINECS 274-713-2, Ethanol, 2-(2,4-diaminophenoxy)-, (4-(2-Hydroxyethoxy)-1,3-phenylene)diammonium sulphate, 66422-95-5, 70643-20-8

Molecular Formula: C8H12N2O2Molecular Weight: 168.193080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: WCPGNFONICRLCL-UHFFFAOYSA-N

• 2,5-Di(trifluoromethyl)aniline
IUPAC Name: 2,5-bis(trifluoromethyl)aniline | CAS Registry Number: 328-93-8
Synonyms: Enamine_005232, 331546_ALDRICH, 15228_FLUKA, 2,5-Bis(trifluoromethyl)aniline, ZINC00120651, CID719818, SBB000691, IDI1_007819

Molecular Formula: C8H5F6NMolecular Weight: 229.122419 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: XWMVIJUAZAEWIE-UHFFFAOYSA-N

• 2-Biphenylcarboxylic Acid
IUPAC Name: 2-phenylbenzoic acid | CAS Registry Number: 947-84-2
Synonyms: o-Phenylbenzoic acid, 2-Biphenylcarboxylic acid, 2-Phenylbenzoic acid, Biphenylcarboxylic acid, 2-phenyl-benzoic acid, Biphenyl-2-carboxylic acid, Diphenyl-2-carboxylic acid, 2-CARBOXYL DIPHENYL, B34702_ALDRICH, (1,1'-Biphenyl)carboxylic acid, 14418_FLUKA, C13H10O2, CID70357, NSC76051, EINECS 213-432-1, SBB007790, [1,1'-Biphenyl]-2-carboxylic acid, FR-0339, LS-44243, TL8005972

Molecular Formula: C13H10O2Molecular Weight: 198.217300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ILYSAKHOYBPSPC-UHFFFAOYSA-N

• 2,6-Dichloroisonicotinic acid
IUPAC Name: 2,6-dichloropyridine-4-carboxylic acid | CAS Registry Number: 5398-44-7
Synonyms: Enamine_005327, TPC-PY019, 456543_ALDRICH, 2,6-Dichloro-isonicotinic acid, NSC4466, 4-Pyridinecarboxylic acid, 2,6-dichloro-, ALBB-006233, SBB003621, 2,6-Dichloropyridine-4-carboxylic acid, Pyridine-4-carboxylic acid, 2,6-dichloro-, AI3-19387, TL8003540, AJ-333/25006161, InChI=1/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11

Molecular Formula: C6H3Cl2NO2Molecular Weight: 191.999520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SQSYNRCXIZHKAI-UHFFFAOYSA-N

• 2,4-Dichlorobenzoyl Chloride
IUPAC Name: 2,4-dichlorobenzoyl chloride | CAS Registry Number: 89-75-8
Synonyms: 2,4-Dichlorobenzoyl chloride, Benzoyl chloride, 2,4-dichloro-, 111937_ALDRICH, 35415_FLUKA, EINECS 201-936-4, ZINC01848570, CID66645, AI3-14890, LS-42601, SB 01809

Molecular Formula: C7H3Cl3OMolecular Weight: 209.457120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CEOCVKWBUWKBKA-UHFFFAOYSA-N

• 2,3-dimethylbenzaldehyde
IUPAC Name: 2,3-dimethylbenzaldehyde | CAS Registry Number: 5779-93-1
Synonyms: 2,3-Dimethylbenzaldehyde, o-Xylene-3-carboxaldehyde, Benzaldehyde, dimethyl-, Benzaldehyde, 2,3-dimethyl-, SBB062996, 28351-09-9, Hemellitaldehyde, Dimethylformylbenzene, PubChem3080, DIMETHYLBENZALDEHYDE, ACMC-1AKE8, AC1L1R6U, AC1Q2DP0, KSC206C0T, AGN-PC-0D91D9, 515353_ALDRICH, 2,3-DIMETHYLBENZALDEHYD, CTK1A6109, MolPort-001-769-837, ACT00386

Molecular Formula: C9H10OMolecular Weight: 134.175100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UIFVCPMLQXKEEU-UHFFFAOYSA-N

• 2-MethylNaphthalene
IUPAC Name: 2-methylnaphthalene | CAS Registry Number: 91-57-6
Synonyms: 2-METHYLNAPHTHALENE, beta-Methylnaphthalene, Naphthalene, 2-methyl-, .beta.-Methylnaphthalene, Naphthalene, beta-methyl-, beta-methyl naphthalenes, 2-Naphthylmethyl radical, 2-Methylnaphthalene (beta), M57006_ALDRICH, HSDB 5274, 2-methylnaphthalene, ion(1+), 2-methylnaphthalene, ion(1-), 442359_SUPELCO, 45796_RIEDEL, WLN: L66J C1, NSC 3575, 67890_FLUKA, CHEBI:50720, EINECS 202-078-3, NSC3575

Molecular Formula: C11H10Molecular Weight: 142.197100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QIMMUPPBPVKWKM-UHFFFAOYSA-N

• 5-Mercapto-1,2,3,4-tetrazole-1-methyl sulfonic acid disodium salts
IUPAC Name: 6-pyridin-3-yl-1H-pyrimidine-2-thione | CAS Registry Number: 66242-82-8
Synonyms: ZINC00172390, 4-Pyridin-3-ylpyrimidine-2-thiol, EINECS 266-274-0, MWP 00580, CID2824274, Disodium 5-sulphido-1H-tetrazole-1-methanesulphonate

Molecular Formula: C9H7N3SMolecular Weight: 189.236980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: CGQNGCGHBQHWNP-UHFFFAOYSA-N

• 2,4-Dichloro-1-nitrobenzene
IUPAC Name: 2,4-dichloro-1-nitrobenzene | CAS Registry Number: 611-06-3
Synonyms: 2,4-DICHLORONITROBENZENE, 1,3-Dichloro-4-nitrobenzene, Benzene, 2,4-dichloro-1-nitro-, CCRIS 3095, D68401_ALDRICH, ghl.PD_Mitscher_leg0.937, asym.-Nitro-m-dichlorobenzene, HSDB 4267, 36030_FLUKA, EINECS 210-248-3, NSC 43196, NSC43196, BRN 1451655, ZINC01675935, LS-1460, NCGC00091267-01, TL80074006, 4-05-00-00726 (Beilstein Handbook Reference), InChI=1/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3

Molecular Formula: C6H3Cl2NO2Molecular Weight: 191.999520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QUIMTLZDMCNYGY-UHFFFAOYSA-N

• 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine
IUPAC Name: 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine | CAS Registry Number: 39577-43-0
Synonyms: NSC520934, EINECS 254-529-9, CID101444, ST5307311

Molecular Formula: C13H18Cl2N2Molecular Weight: 273.201420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NDQKGEFMUGSRNS-UHFFFAOYSA-N

• 1,2,3-Tribromopropane
IUPAC Name: 1,2,3-tribromopropane | CAS Registry Number: 96-11-7
Synonyms: s-Tribromopropane, sym-Tribromopropane, Glycerol tribromohydrin, Glyceryl tribromohydrin, 1,2,3-TRIBROMOPROPANE, Propane, 1,2,3-tribromo-, CCRIS 6706, NCIOpen2_004459, 148474_ALDRICH, CHEBI:18859, EINECS 202-478-8, NSC 78932, NSC78932, BRN 1732082, c0622, AI3-18135, LS-121073, ST5409751, 4-01-00-00221 (Beilstein Handbook Reference), InChI=1/C3H5Br3/c4-1-3(6)2-5/h3H,1-2H

Molecular Formula: C3H5Br3Molecular Weight: 280.783800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FHCLGDLYRUPKAM-UHFFFAOYSA-N

• (R)-Glycidol
IUPAC Name: [(2R)-oxiran-2-yl]methanol | CAS Registry Number: 57044-25-4
Synonyms: (R)-Oxiranemethanol, R(+)-glycidol, (+)-Glycidol, (R)-()-Glycidol, (R)-(+)-Glycidol, (2R)-oxiran-2-ylmethanol, (R)-()-Oxirane-2-methanol, (R)-3-hydroxy-1,2-epoxypropane, 480819_ALDRICH, CHEBI:18664, c0082, ZINC00900548, (R)-(+)-2,3-Epoxy-1-propanol, TL8003674, InChI=1/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H, 556-52-5, 60456-23-7

Molecular Formula: C3H6O2Molecular Weight: 74.078540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CTKINSOISVBQLD-GSVOUGTGSA-N

• 2,6-Dichloronitro Benzene
IUPAC Name: 1,3-dichloro-2-nitrobenzene | CAS Registry Number: 601-88-7
Synonyms: 1,3-Dichloro-2-nitrobenzene, EINECS 210-009-3, Benzene, 1,3-dichloro-2-nitro-, 2,6-DICHLORO-1-NITROBENZENE, LS-185763

Molecular Formula: C6H3Cl2NO2Molecular Weight: 191.999520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VITSNECNFNNVQB-UHFFFAOYSA-N

• 1-(2,3-Dichlorophenyl) Piperazine
IUPAC Name: 1-(2,3-dichlorophenyl)piperazin-4-ium | CAS Registry Number: 41202-77-1
Synonyms: ZINC00386729, CID6950013

Molecular Formula: C10H13Cl2N2+Molecular Weight: 232.129620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UDQMXYJSNNCRAS-UHFFFAOYSA-O

• 2-Amino-5-trifluoromethylpyridine
IUPAC Name: 5-(trifluoromethyl)pyridin-2-amine | CAS Registry Number: 74784-70-6
Synonyms: TPC-PY067, 684716_ALDRICH, 2-Amino-5-(trifluoromethyl)pyridine, 2-Amino-5-Trifluoromethyl Pyridine, SBB005500, A201, TL8005140, 3S105710

Molecular Formula: C6H5F3N2Molecular Weight: 162.112510 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: RSGVKIIEIXOMPY-UHFFFAOYSA-N

• 1-Ethynyl-4-fluorobenzene
IUPAC Name: 1-ethynyl-4-fluorobenzene | CAS Registry Number: 766-98-3
Synonyms: 4-Fluorophenylacetylene, 4'-fluorophenyl acetylene, Benzene, 1-ethynyl-4-fluoro-, 4'-Fluorophenylacetylene, (p-Fluorophenyl)acetylene, 1-ethynyl-4-fluoro-benzene, SBB064531, AG-H-06236, PubChem16719, AC1Q4LVC, 4-ethynyl-1-fluorobenzene, ACMC-209p5m, AC1LAX68, 1-Ethynyl-4-fluorobenzene,, KSC491I8T, 404330_ALDRICH, CHEMBL233810, CTK3J1489, MolPort-000-003-672, 1-ETHYNYL,4-FLUORO-BENZENE

Molecular Formula: C8H5FMolecular Weight: 120.123703 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QXSWHQGIEKUBAS-UHFFFAOYSA-N

• (S)-(-)-(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphine)
IUPAC Name: [2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane | CAS Registry Number: 133545-17-2
Synonyms: (R)-(+)-MeO-BIPHEP, (S)-(-)-MeO-BIPHEP, SL-A101-1, SL-A101-2, (R)-(+)-(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphine), 133545-16-1, (R)-(+)-2,2'-Bis(diphenylphosphino)-6,6'-dimethoxy-1,1'-biphenyl, (S)-(-)-2,2'-Bis(diphenylphosphino)-6,6'-dimethoxy-1,1'-biphenyl, (R)-MEO-BIPHEP, (S)-MEO-BIPHEP, AC1N75TB, (S)-PPHENYL-MEOBIPHEP, 29510_ALDRICH, 29511_ALDRICH, CTK8E8984, AKOS015851710, SC11341, I14-45893, I14-45894, (R)-2,2'-BIS(DIPHENYLPHOSPHINO)-6,6'-DIMETHOXY-1,1'-BIPHENYL

Molecular Formula: C38H32O2P2Molecular Weight: 582.607004 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KRJVQCZJJSUHHO-UHFFFAOYSA-N

• 1-Amino-Cyclobutanecarboxylic Acid
IUPAC Name: 1-aminocyclobutane-1-carboxylic acid | CAS Registry Number: 22264-16-0
Synonyms: 1-Aminocyclobutanecarboxylic acid, 22264-50-2, 1-Aminocyclobutane-1-carboxylic acid, Cyclobutanecarboxylic acid, 1-amino-, 1-Amino-1-cyclobutanecarboxylic acid, 1-Aminocyclobutanecarboxylicacid, 1-Amino-cyclobutanecarboxylic acid, 1-Amino-1-carboxycyclobutane, SBB050243, NSC 403363, 1-AMINOCYCLOBUTANECARBOXLIC ACID, CB 1700, BRN 2802253, 1-Aminocyclobutane carboxylic acid, ACBC, ACBC-OH, Tocris-0258, 1y1z, SpecPlus_000653, AC1L3IAX

Molecular Formula: C5H9NO2Molecular Weight: 115.130460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FVTVMQPGKVHSEY-UHFFFAOYSA-N

• 1,5-Diamino Naphthalene
IUPAC Name: naphthalene-1,5-diamine | CAS Registry Number: 2243-62-1
Synonyms: 1,5-Diaminonaphthalene, 1,5-NAPHTHALENEDIAMINE, 1,5-Naphthylenediamine, 1,5-Napthalenediamine, naphthalene-1,5-diamine, CCRIS 422, NCI-C03021, WLN: L66J BZ GZ, D21200_ALDRICH, HSDB 4118, 33165_FLUKA, EINECS 218-817-8, NSC 401110, BRN 0907947, NSC401110, ZINC00154653, LS-1023, NCGC00091284-01, NCGC00091284-02, 4-13-00-00340 (Beilstein Handbook Reference)

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

InChIKey: KQSABULTKYLFEV-UHFFFAOYSA-N

• 4,4'-(1-Methyl-ethylidene)bis[2- Methyl phenol]
IUPAC Name: 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol | CAS Registry Number: 79-97-0
Synonyms: Bisphenol C, Dicresylolpropane, Nonox DCP, 3,3'-Dimethyldian, 3,3'-Dimethylbisphenol A, 4,4'-Isopropylidenedi-o-cresol, Oprea1_808602, B45712_ALDRICH, o-CRESOL, 4,4'-ISOPROPYLIDENEDI-, 2,2-Bis(4-hydroxy-3-methylphenyl)propane, 553476_ALDRICH, EINECS 201-240-0, o-Cresol, 4,4'-(2,2-propylene)bis-, NSC 408489, 2,2-Bis(3-methyl-4-hydroxyphenyl)propane, BRN 2053755, 4,4'-Isopropylidenebis(2-methylphenol), NSC408489, ZINC00056957, WLN: QR B1 DY1&1R DQ C1

Molecular Formula: C17H20O2Molecular Weight: 256.339500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YMTYZTXUZLQUSF-UHFFFAOYSA-N

• 1-Naphthaleneacetic acid
IUPAC Name: 2-naphthalen-1-ylacetic acid | CAS Registry Number: 86-87-3
Synonyms: Transplantone, Alphaspra, Fruitofix, Klingtite, Planofixe, Phyomone, Planofix, Primacol, Celmone, Stafast, Tekkam, 1-Naphthylacetic acid, Liqui-stik, Regenasol, Floramon, Hormofix, Nafusaku, Pimacol-Sol, Rhodofix, Agronaa

Molecular Formula: C12H10O2Molecular Weight: 186.206600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PRPINYUDVPFIRX-UHFFFAOYSA-N

• 10-Deacetylbaccatin III
Synonyms: 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

• (1R)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one
IUPAC Name: (1R,4S)-6-azabicyclo[2.2.1]hept-2-en-5-one | CAS Registry Number: 79200-56-9
Synonyms: ZINC00158453

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DDUFYKNOXPZZIW-UHNVWZDZSA-N

• 2,3-Dimethyl-4-nitroanisole
IUPAC Name: 1-methoxy-2,3-dimethyl-4-nitrobenzene | CAS Registry Number: 81029-03-0
Synonyms: 209570_ALDRICH, 4-Methoxy-2,3-dimethylnitrobenzene, EINECS 279-674-5, ZINC02567945, Benzene, 1-methoxy-2,3-dimethyl-4-nitro-, ST5406412, TL8005425

Molecular Formula: C9H11NO3Molecular Weight: 181.188540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DUBFMQLUMHKYOX-UHFFFAOYSA-N

• 2,6-Dimethylthiophenol
IUPAC Name: 2,6-dimethylbenzenethiolate | CAS Registry Number: 118-72-9
Synonyms: ZINC01851021, CID6997373

Molecular Formula: C8H9S-Molecular Weight: 137.222060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QCLJODDRBGKIRW-UHFFFAOYSA-M

• (1S,2S)-(+)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine
IUPAC Name: [(1S,2S)-2-[(4-methylphenyl)sulfonylamino]-1,2-di(phenyl)ethyl]azanium | CAS Registry Number: 167316-27-0
Synonyms: ZINC04204432, CID7128481

Molecular Formula: C21H23N2O2S+Molecular Weight: 367.484520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UOPFIWYXBIHPIP-SFTDATJTSA-O

• 1-Dimethylaminopropan-2-Ol
IUPAC Name: 1-(dimethylamino)propan-2-ol | CAS Registry Number: 108-16-7
Synonyms: Dimepranol, Dimethylisopropanolamine, Dimepranol [INN], N,N-Dimethylisopropanolamine, Dimethyl(2-hydroxypropyl)amine, 1-(Dimethylamino)-2-propanol, Dimepranolum [INN-Latin], 1-(Dimethylamino)propan-2-ol, N,N-Dimethylaminoisopropanol, 1,1-Dimethylaminopropanol-2, N,N-(Dimethylamino)-2-propanol, 1-Dimethylamino-2-propanol, N,N-Dimethyl-2-hydroxypropylamine, 2-PROPANOL, 1-(DIMETHYLAMINO)-, 2-Propanol, 1,1-(dimethylamino)-, 471526_ALDRICH, 1,1-(Dimethylamino)propanol-2, NSC 3163, 39300_FLUKA, EINECS 203-556-4

Molecular Formula: C5H13NOMolecular Weight: 103.162820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NCXUNZWLEYGQAH-UHFFFAOYSA-N

• 2,5-Difluorobenzylamine
IUPAC Name: (2,5-difluorophenyl)methanamine | CAS Registry Number: 85118-06-5
Synonyms: 264385_ALDRICH, Benzenemethanamine, 2,5-difluoro-, 1-(2,5-difluorophenyl)methanamine, ALBB-005359, JRD-0444, EINECS 285-658-9, SBB006678

Molecular Formula: C7H7F2NMolecular Weight: 143.133986 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GDFBHCMFIUBEQT-UHFFFAOYSA-N

• 2,3-Dichloro Benzoyl Cyanide
IUPAC Name: 2,3-dichlorobenzoyl cyanide | CAS Registry Number: 77668-42-9
Synonyms: 2,3-Dichlorobenzoylcyanide, EINECS 278-747-9, (2,3-Dichlorophenyl)oxoacetonitrile, CID2735968, TL8005327

Molecular Formula: C8H3Cl2NOMolecular Weight: 200.021520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FIBBFBXFASKAON-UHFFFAOYSA-N

• 2,3-Difluoroaniline
IUPAC Name: 2,3-difluoroaniline | CAS Registry Number: 4519-40-8
Synonyms: 2,3-difluorophenylamine, Benzenamine, 2,3-difluoro-, 265306_ALDRICH, JRD-0107, EINECS 224-847-2, SBB006565, ZINC00409208, TL8003134

Molecular Formula: C6H5F2NMolecular Weight: 129.107406 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YCCQGFYAVUTQFK-UHFFFAOYSA-N

• 1-benzylpiperazine
IUPAC Name: 1-(phenylmethyl)piperazine | CAS Registry Number: 2759-28-6
Synonyms: 1-Benzylpiperazine, N-benzylpiperazine, Benzylpiperazine, 4-Benzylpiperazine, Piperazine, 1-benzyl-, nchembio814-comp10, 1-(phenylmethyl)piperazine, Piperazine, polymer-bound, Piperazine, 1-(phenylmethyl)-, 526290_ALDRICH, 547549_ALDRICH, Piperazine, 1-benzyl- (8CI), 13815_FLUKA, EINECS 220-423-6, 1-Benzylpiperazine dihydrochloride, NSC 40889, NSC40889, EINECS 226-188-6, SBB007534, AI3-52573

Molecular Formula: C11H16N2Molecular Weight: 176.258140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IQXXEPZFOOTTBA-UHFFFAOYSA-N

• 1-(2-Pyridylazo)-2-naphthol
IUPAC Name: 1-(pyridin-2-ylhydrazinylidene)naphthalen-2-one | CAS Registry Number: 85-85-8
Synonyms: PAN (indicator), NSC5332, 2-Naphthol, 1-(2-pyridylazo)-, ZINC03860832, 1-(2-Pyridylazo)-2-hydroxynaphthalene, 2-Hydroxy-1-(2-pyridylazo)naphthalene, 2-Naphthalenol, 1-(2-pyridinylazo)-, Pan

Molecular Formula: C15H11N3OMolecular Weight: 249.267340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RAXUMGMWXZYADR-UHFFFAOYSA-N

• 2,3-Dihydroxynaphthalene-6-Sulfonate
IUPAC Name: 6,7-dihydroxynaphthalene-2-sulfonic acid; sodium | CAS Registry Number: 135-53-5
Synonyms: NSC7203, Sodium 2,3-dioxynaphthalene-6-sulfonate, 2,3-Dihydroxynaphthalene-6-sodium sulfonate, Sodium 2,3-dihydroxynaphthalene-6-sulfonate, 6,7-Dihydroxy-2-naphthalenesulfonic acid sodium salt, 2-Naphthalenesulfonic acid, 6,7-dihydroxy-, monosodium salt

Molecular Formula: C10H8NaO5SMolecular Weight: 263.222290 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: QSXGWWXIYUVOMC-UHFFFAOYSA-N

• 1,3-Dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazole-2-one
IUPAC Name: 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one | CAS Registry Number: 2147-83-3
Synonyms: MLS000737175, MLS001359872, NSC88883, CID75070, EINECS 218-415-2, SBB003398, SMR000528403, 1,3-Dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one

Molecular Formula: C12H13N3OMolecular Weight: 215.251120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YFEOSTXFQCDCAR-UHFFFAOYSA-N

• 1-Methylpyrrolidine-2-Ethanol
IUPAC Name: 2-(1-methylpyrrolidin-2-yl)ethanol | CAS Registry Number: 67004-64-2
Synonyms: 1-Methyl-2-pyrrolidineethanol, 139513_ALDRICH, 1-Methyl-2-pyrrolidine ethanol, 2-(1-Methyl-2-pyrrolidine)ethanol, EINECS 266-538-5, 2-(2-Hydroxyethyl)-N-methylpyrrolidine, N-methyl-2-(2-hydroxyethyl)pyrrolidine, TL8004728

Molecular Formula: C7H15NOMolecular Weight: 129.200100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FYVMBPXFPFAECB-UHFFFAOYSA-N

• (R)-(+)-(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphine)
IUPAC Name: [2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane | CAS Registry Number: 133545-16-1
Synonyms: (R)-(+)-MeO-BIPHEP, (S)-(-)-MeO-BIPHEP, SL-A101-1, SL-A101-2, (R)-(+)-2,2'-Bis(diphenylphosphino)-6,6'-dimethoxy-1,1'-biphenyl, (S)-(-)-(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphine), (S)-(-)-2,2'-Bis(diphenylphosphino)-6,6'-dimethoxy-1,1'-biphenyl, (R)-MEO-BIPHEP, (S)-MEO-BIPHEP, AC1N75TB, (S)-PPHENYL-MEOBIPHEP, 29510_ALDRICH, 29511_ALDRICH, CTK8E8984, AKOS015851710, SC11341, I14-45893, I14-45894, (R)-2,2'-BIS(DIPHENYLPHOSPHINO)-6,6'-DIMETHOXY-1,1'-BIPHENYL, (RS)-(6,6'-DIMETHOXYBIPHENYL-2,2'-DIYL)BIS(DIPHENYLPHOSPHINE)

Molecular Formula: C38H32O2P2Molecular Weight: 582.607004 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KRJVQCZJJSUHHO-UHFFFAOYSA-N

• (E)-3-(2-formylphenyl)-2-propenoic acid 1,1-dimethyl ethyl ester
IUPAC Name: tert-butyl (E)-3-(2-formylphenyl)prop-2-enoate | CAS Registry Number: 103890-69-3
Synonyms: (E)-3-(2-Formylphenyl)-2-propenoic acid 1,1-dimethyl ethyl ester, PubChem14373, MolPort-005-940-844, ZINC22002097, AKOS015913871, AK-55388, (E)-tert-Butyl 3-(2-formylphenyl)acrylate, I14-43577

Molecular Formula: C14H16O3Molecular Weight: 232.275040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AXPDMCJJNSJNCA-CMDGGOBGSA-N

• 1,4-cyclohexadiene
IUPAC Name: cyclohexa-1,4-diene | CAS Registry Number: 628-41-1
Synonyms: 1,4-Dihydrobenzene, 1,4-CYCLOHEXADIENE, Cyclohexa-1,4-diene, 125415_ALDRICH, 28910_FLUKA, CHEBI:37611, EINECS 211-043-1, TL8004283, InChI=1/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H, 33004-08-9, 56481-79-9

Molecular Formula: C6H8Molecular Weight: 80.127720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UVJHQYIOXKWHFD-UHFFFAOYSA-N

• 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine
IUPAC Name: 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile | CAS Registry Number: 3335-46-4
Synonyms: ZINC03883302, CID2782644, 10X-0866

Molecular Formula: C7H3F3N2O2Molecular Weight: 204.106130 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: JRLZWXISQMMITA-UHFFFAOYSA-N

• (S)-3-Hydroxytetrahydrofuran
IUPAC Name: (3S)-oxolan-3-ol | CAS Registry Number: 86087-23-2
Synonyms: (S)-(+)-3-Hydroxytetrahydrofuran, (3S)-oxolan-3-ol, (S)-(+)-tetrahyro-3-furanol, (S)-(+)-Tetrahydro-3-furanol, (S)-TETRAHYDRO-3-FURANOL, SBB062959, AG-H-17260, (S)-(+)-3-Hydoxy tetahydro tetrahydro furan, (S)-Tetrahydrofuran-3-ol, 84976-47-6, (3S)oxolan-3-ol, AC1MBYEJ, PubChem11341, PubChem16209, S-3-Hydroxytetrahydrofuran, SureCN158873, AC1Q59TD, KSC447S9N, 296686_ALDRICH, 3S-HYDROXYTETRAHYDROFURAN

Molecular Formula: C4H8O2Molecular Weight: 88.105120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XDPCNPCKDGQBAN-BYPYZUCNSA-N

• (2,6-Dichloro-3-Nitrophenyl)methanol
IUPAC Name: (2,6-dichloro-3-nitrophenyl)methanol | CAS Registry Number: 160647-01-8
Synonyms: (2,6-dichloro-3-nitrophenyl)methanol, 2,6-Dichloro-3-nitrobenzyl alcohol, Benzenemethanol, 2,6-dichloro-3-nitro, ZINC00163529, AC1MDS6Q, SureCN6646572, CTK4D0524, MolPort-001-765-995, 2,6-Dichloro-3-nitrophenylmethanol, ANW-46763, SBB096231, AKOS015911530, AB09225, AG-E-10201, Benzenemethanol,2,6-dichloro-3-nitro-, RH01660, AK-59938, KB-82785, (2,6-dichloro-3-nitrophenyl)methan-1-ol, 2,4-Dichloro-3-(hydroxymethyl)nitrobenzene

Molecular Formula: C7H5Cl2NO3Molecular Weight: 222.025500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SBOJVVSPAOOEEB-UHFFFAOYSA-N

• 1-Methyl-5-(p-toluoyl)pyrrole-2-acetic acid sodium-potassium salt dihydrate
IUPAC Name: sodium 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid dihydrate | CAS Registry Number: 64490-92-2
Synonyms: Prestwick_149, Tolmetin sodium salt dihydrate, CID6419903

Molecular Formula: C15H19NNaO5+Molecular Weight: 316.304830 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: QQILXENAYPUNEA-UHFFFAOYSA-N

• 1,2,2,6,6-Pentamethyl-4-Piperidinol
IUPAC Name: 1,2,2,6,6-pentamethylpiperidin-4-ol | CAS Registry Number: 2403-89-6
Synonyms: 03225_FLUKA, ZERO/006223, NSC364075, CID75472, EINECS 219-292-8, NSC 364075, 1,2,2,6,6-Pentamethyl-4-piperidinol, 1,2,2,6,6-Pentamethylpiperidin-4-ol, 4-Piperidinol, 1,2,2,6,6-pentamethyl-, 1,2,2,6,6-Pentamethyl-4-hydroxypiperidine, 4-Hydroxy-1,2,2,6,6-pentamethylpiperidine

Molecular Formula: C10H21NOMolecular Weight: 171.279840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NWHNXXMYEICZAT-UHFFFAOYSA-N


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