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Profile: Chempure is involved in the business of chemicals. We provide bio-chemical, fine, organic and specialty research chemicals. Our products include abietic acid, 2-cis-4-trans-abscisic acid, 2-acetamido-5-aminopyridine, 2-amino-4-chloro-6-methylpyrimidine, barium acetate, barium bromate, cadmium carbonate, cadmium sulfate octahydrate, 3-decanone, 2,5-difluorotoluene, 3,4-(ethylenedioxy)benzeneboronic acid and 3-ethyl-3-hexanol.

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• 2',3'-Isopropylideneuridine
IUPAC Name: 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione | CAS Registry Number: 362-43-6
Synonyms: I5127_SIGMA, 2',3'-O-Isopropylideneuridine, 2',3'-O-Isopropylidene uridine, EINECS 206-647-7, SBB005959, ZINC00399362

Molecular Formula: C12H16N2O6Molecular Weight: 284.265240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: GFDUSNQQMOENLR-PEBGCTIMSA-N

• 2,2'-Biquinoline
IUPAC Name: 2-quinolin-2-ylquinoline | CAS Registry Number: 119-91-5
Synonyms: Cuproin, Cuproine, 2,2'-Diquinolyl, 2,2'-BIQUINOLINE, 2,2'-Biquinolyl, Oprea1_035027, B35407_ALDRICH, 35020_FLUKA, CID8412, NSC1533, NSC 1533, EINECS 204-357-5, SBB008865, ZINC00155640

Molecular Formula: C18H12N2Molecular Weight: 256.301280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WPTCSQBWLUUYDV-UHFFFAOYSA-N

• 1,1-diphenylheptane
IUPAC Name: 1-phenylheptylbenzene | CAS Registry Number: 1530-05-8
Synonyms: 1,1-Diphenylheptane, Heptane, 1,1-diphenyl-, NSC114847, CID271335, SBB008712

Molecular Formula: C19H24Molecular Weight: 252.393860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MZLKNWMNBXHXMA-UHFFFAOYSA-N

• 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one
IUPAC Name: 3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-one | CAS Registry Number: 69225-59-8
Synonyms: Maybridge1_004236, 215570_ALDRICH, EINECS 273-918-4, ZINC00164382, TL800742075, 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one, 1,5-Dioxaspiro[5.5]undecan-9-one, 3,3-dimethyl-, 1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal), 1,4-Cyclohexanedione mono-2,2-dimethyl-trimethylene ketal

Molecular Formula: C11H18O3Molecular Weight: 198.258820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: COKVDTKAWIFNTH-UHFFFAOYSA-N

• 1-Bromo-4-cyclohexylbenzene
IUPAC Name: 1-bromo-4-cyclohexylbenzene | CAS Registry Number: 25109-28-8
Synonyms: NCIOpen2_003485, NSC67355, Benzene, 1-bromo-4-cyclohexyl-, CID90718, EINECS 246-623-3, AI3-11173, ST5408829, TL8002044

Molecular Formula: C12H15BrMolecular Weight: 239.151500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LVIJLEREXMVRAN-UHFFFAOYSA-N

• (S)-(+)-2-Phenylbutyric Acid
IUPAC Name: (2S)-2-phenylbutanoic acid | CAS Registry Number: 4286-15-1
Synonyms: (S)-(+)-2-Phenylbutyric acid, (2s)-2-phenylbutanoic acid, (S)-2-Phenylbutanoic acid, PubChem9874, AC1LFXAE, AC1Q5QZQ, SureCN67237, AC1Q2C6Z, 279889_ALDRICH, AC1Q2C70, CTK4I6709, (S)-()-2-phenyl-Mutyric Acid, KST-1A8854, (S)-(+)-2-phenyl-Mutyric Acid, AR-1A3279, Benzeneacetic acid, a-ethyl-, (aS)-, AG-A-07800, KB-211229

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

InChIKey: OFJWFSNDPCAWDK-VIFPVBQESA-N

• 1,8-Diphenyl-1,3,5,7-Octatetraene
IUPAC Name: 8-phenylocta-1,3,5,7-tetraenylbenzene | CAS Registry Number: 3029-40-1
Synonyms: 1,8-Diphenyloctatetraene, NSC10212, 1,8-Diphenyl-1,3,5,7-octatetraene, CID95443, .alpha.,.omega.-Diphenyloctatetraene, 1,3,5,7-Octatetraene, 1,8-diphenyl-, Benzene, 1,1'-(1,3,5,7-octatetraene-1,8-diyl)bis-

Molecular Formula: C20H18Molecular Weight: 258.356920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZENGMMQJMCPHTK-UHFFFAOYSA-N

• 2,2-Difluoro-1,3-benzodioxole-4-carboxylicacid
IUPAC Name: 2,2-difluoro-1,3-benzodioxole-4-carboxylic acid | CAS Registry Number: 126120-85-2
Synonyms: JRD-1190, ST5407411, 2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid

Molecular Formula: C8H4F2O4Molecular Weight: 202.111766 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: ZGAQVJDFFVTWJK-UHFFFAOYSA-N

• 1,4-Di-tert-butylbenzene
IUPAC Name: 1,4-ditert-butylbenzene | CAS Registry Number: 1012-72-2
Synonyms: p-Di-tert-butylbenzene, Benzene, p-di-tert-butyl-, 1,4-ditert-butylbenzene, Benzene, 1,4-bis(1,1-dimethylethyl)-, Bis(1,1-dimethylethyl)benzene, 113352_ALDRICH, Benzene, bis(1,1-dimethylethyl)-, P-DI(TERT-BUTYL)BENZENE, NSC 6342, EINECS 213-790-9, NSC6342, Benzene, p-di-tert-butyl- (8CI), ZINC00968669, AI3-11248, LS-29141, ST5406194, AE-641/00770037, InChI=1/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H

Molecular Formula: C14H22Molecular Weight: 190.324480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OOWNNCMFKFBNOF-UHFFFAOYSA-N

• (S)-3-AminoPyrrolidine dihydrochloride
IUPAC Name: (3S)-pyrrolidin-3-amine;dihydrochloride | CAS Registry Number: 116183-83-6
Synonyms: (S)-(+)-3-Aminopyrrolidine dihydrochloride, (3S)-(+)-3-Aminopyrrolidine Dihydrochloride, (S)-3-Aminopyrrolidine 2HCl, (S)-3-Aminopyrrolidine dihydrochloride, (S)-pyrrolidin-3-amine dihydrochloride, (S)-(+)-3-AMINOPYRROLIDINE 2HCL, (S)-(+)-3-Aminopyrrolidinedihydrochloride, PubChem11156, SureCN4717529, Jsp001160, CTK3J1285, MolPort-001-768-445, ACT04905, ANW-16945, OR4631, AKOS015845483, AB02823, AC-6713, AM81993, LS30070

Molecular Formula: C4H12Cl2N2Molecular Weight: 159.057480 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: NJPNCMOUEXEGBL-FHNDMYTFSA-N

• (4-Methoxycarbonylbenzyl)triphenylphosphonium Bromide
IUPAC Name: (4-methoxycarbonylphenyl)methyl-triphenylphosphanium;bromide | CAS Registry Number: 1253-46-9
Synonyms: (4-Methoxycarbonylbenzyl)triphenylphosphonium bromide, 4-CARBOMETHOXYBENZYL TRIPHENYLPHOSPHONIUM CHLORIDE, [4-(Methoxycarbonyl)benzyl](triphenyl)phosphonium bromide, AC1MC9IZ, CTK8B7036, MolPort-002-345-217, (4-methoxycarbonylphenyl)methyl-triphenyl-phosphanium Bromide, ACT03964, ANW-56181, AKOS005071021, AG-D-53601, MCULE-9826970620, RP17277, AK-33043, KB-01901, FT-0080339, FT-0602745, ST51053325, TL80073962, methoxycarbonylbenzyltriphenylphosphoniumbromide

Molecular Formula: C27H24BrO2PMolecular Weight: 491.356022 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WUWDGVKUXDZLNU-UHFFFAOYSA-M

• (S)-Glycidyl tosylate
IUPAC Name: [(2S)-oxiran-2-yl]methyl 4-methylbenzenesulfonate | CAS Registry Number: 70987-78-9
Synonyms: Glycidyl tosylate, (+)-Glycidyl tosylate, (2S)-(+)-Glycidyl tosylate, CCRIS 6400, (2S)-()-Glycidyl tosylate, 540129_ALDRICH, (S)-()-Glycidyl p-toluenesulfonate, BRN 3592143, CID153296, NSC636971, ZINC01624985, NCI60_012248, LS-101059, Oxiranemethanol, 4-methylbenzenesulfonate, (S)-, ST5319392, TL8004999, (S)-()-Oxirane-2-methanol p-toluenesulfonate, 5-17-03-00047 (Beilstein Handbook Reference)

Molecular Formula: C10H12O4SMolecular Weight: 228.264880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: NOQXXYIGRPAZJC-VIFPVBQESA-N

• (S)-(+)-4-Phenyl-2-Butanol
IUPAC Name: (2S)-4-phenylbutan-2-ol | CAS Registry Number: 22148-86-3
Synonyms: (S)-(+)-4-Phenyl-2-butanol, (2S)-4-phenyl-2-butanol, (2S)-4-phenylbutan-2-ol, (S)-(+)-4-Phenylbutan-2-ol, AC1ODVRO, UNII-EJP87N3Z5V, (S)-4-Phenyl-2-butanol, SureCN2942774, (+)-4-Phenyl-2-butanol, 4-Phenyl-2-butanol, (S)-, 558095_ALDRICH, (S)-alpha-Methylbenzenepropanol, (S)-1-Methyl-3-phenylpropanol, 4-Phenyl-2-butanol, (2S)-, CTK4E8767, (alphaS)-alpha-Methylbenzenepropanol, ZINC01695428, AKOS006342336, Benzenepropanol, alpha-methyl-, (S)-, Benzenepropanol, |A-methyl-, (|AS)-

Molecular Formula: C10H14OMolecular Weight: 150.217560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GDWRKZLROIFUML-VIFPVBQESA-N

• 1-Bromo-8-(Tetrahydropyranyloxy)Octane
IUPAC Name: 2-(8-bromooctoxy)oxane | CAS Registry Number: 50816-20-1
Synonyms: 1-Bromo-8-tetrahydropyranyloxyoctane, 8-Bromooctyl tetrahydropyranyl ether, EINECS 256-786-2, CID170916, ZINC02146694, 2H-Pyran, 2-[(8-bromooctyl)oxy]tetrahydro-, 2-((8-Bromooctyl)oxy)tetrahydro-2H-pyran, LT03382422, 2H-Pyran, 2-((8-bromooctyl)oxy)tetrahydro-, 112999-83-4

Molecular Formula: C13H25BrO2Molecular Weight: 293.240400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JCRBYQZIJFWGOO-UHFFFAOYSA-N

• 1-Bromo-4-Chlorobutane
IUPAC Name: 1-bromo-4-chlorobutane | CAS Registry Number: 6940-78-9
Synonyms: 1-Bromo-4-chlorobutane, Tetramethylene chlorobromide, Butane, 1-bromo-4-chloro-, 1-Chloro-4-bromobutane, 4-Bromo-1-chlorobutane, B60800_ALDRICH, NSC60193, EINECS 230-089-3, NSC 60193, TL8004863, InChI=1/C4H8BrCl/c5-3-1-2-4-6/h1-4H

Molecular Formula: C4H8BrClMolecular Weight: 171.463320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NIDSRGCVYOEDFW-UHFFFAOYSA-N

• 2'-Deoxyadenosine Monohydrate
IUPAC Name: (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol | CAS Registry Number: 16373-93-6
Synonyms: deoxyadenosine, 2'-deoxyadenosine, Desoxyadenosine, Adenyldeoxyriboside, Adenine deoxyribose, Adenine deoxy nucleoside, Adenine deoxyribonucleoside, 2'-Deoxyformycin A, ADENOSINE, 2'-DEOXY-, CCRIS 1782, 2'-dA, ADENINE DESOXYRIBOSIDE, nchembio.2007.39-comp4, STOCK1N-51172, ACon0_001347, CHEBI:17256, EINECS 213-488-7, NSC 83258, AIDS021670, NSC 141848

Molecular Formula: C10H13N5O3Molecular Weight: 251.241920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: OLXZPDWKRNYJJZ-RRKCRQDMSA-N

• (4-Ethoxycarbonylbutyl)Triphenylphosphonium Bromide
IUPAC Name: (5-ethoxy-5-oxopentyl)-triphenylphosphanium;bromide | CAS Registry Number: 54110-96-2
Synonyms: AC1MCN8J, ACMC-1AO4C, CTK4J9647, AG-F-86981, FT-0604765, ST50408758, (5-ethoxy-5-oxopentyl)triphenylphosphanium bromide, (5-ethoxy-5-oxopentyl)-triphenylphosphanium bromide, 4-(Ethoxycarbonyl)butyl triphenylphosphonium bromide, (4-ETHOXYCARBONYLBUTYL)TRIPHENYLPHOSPHONIUM BROMIDE, Phosphonium,[1-(ethoxycarbonyl)butyl]triphenyl-, bromide (1:1), Phosphonium,[1-(ethoxycarbonyl)butyl]triphenyl-, bromide (9CI);(4-Ethoxycarbonylbutyl)triphenylphosphonium bromide;(5-Ethoxy-5-oxopentyl)(triphenyl)phosphonium bromide;(4-Carboethoxybutyl)triphenylphosphonium bromide;Ethyl 4-(triphenylphosphonio)butyrate bromide;

Molecular Formula: C25H28BrO2PMolecular Weight: 471.366382 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WIZBVXRRVWMYTB-UHFFFAOYSA-M

• 1-Carbethoxymethylene-Triphenylphosphorane
IUPAC Name: ethyl 2-tri(phenyl)phosphoranylideneacetate | CAS Registry Number: 1099-45-2
Synonyms: C5106_ALDRICH, (Carbethoxymethylene)triphenylphosphorane, Ethyl (triphenylphosphoranylidene)acetate, 02595_FLUKA, Triphenylcarbethoxymethylenephosphorane, Carbethoxytriphenylphosphonium methylide, Carbethoxymethylidenetriphenylphosphorane, NSC72406, Carboethoxymethylidenetriphenylphosphorane, EINECS 214-151-7, Ethyl (triphenylphosphoranilidene)acetate, NSC 72406, NSC167159, Ethyl (triphenylphosphoranyliden)acetate, Acetic acid, (triphenylphosphoranylidene)-, ethyl ester, (Ethoxycarbonylmethylene)triphenylphosphorane, ST5406274, ((Ethoxycarbonyl)methylene)triphenylphosphorane, [(Ethoxycarbonyl)methylene]triphenylphosphorane, ((Ethoxycarbonyl)ethylidene)triphenylphosphorane

Molecular Formula: C22H21O2PMolecular Weight: 348.374701 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IIHPVYJPDKJYOU-UHFFFAOYSA-N

• 1-iodododecane
IUPAC Name: 1-iodododecane | CAS Registry Number: 4292-19-7
Synonyms: n-Dodecyl iodide, Dodecyl iodide, Lauryl iodide, Dodecane, 1-iodo-, 1-IODODODECANE, Ambap2890, 238260_ALDRICH, NSC9285, NSC 9285, EINECS 224-293-1

Molecular Formula: C12H25IMolecular Weight: 296.231370 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GCDPERPXPREHJF-UHFFFAOYSA-N

• 1,4-Bis(diphenylphosphino)butane
IUPAC Name: 4-di(phenyl)phosphanylbutyl-di(phenyl)phosphane | CAS Registry Number: 7688-25-7
Synonyms: dppb, Bis(1,4-diphenylphosphino)butane, 261947_ALDRICH, 14805_FLUKA, 1,4-Bis[diphenylphosphino]butane, EINECS 231-698-7, Butane-1,4-diylbis(diphenylphosphine), Phosphine, 1,4-butanediylbis(diphenyl-, [4-(Diphenylphosphino)butyl](diphenyl)phosphine

Molecular Formula: C28H28P2Molecular Weight: 426.469442 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: BCJVBDBJSMFBRW-UHFFFAOYSA-N

• (R)-2-Amino-1-phenylethanol
IUPAC Name: (1R)-2-amino-1-phenylethanol | CAS Registry Number: 2549-14-6
Synonyms: (R)-(-)-2-Amino-1-phenylethanol, (1R)-2-amino-1-phenylethanol, AG-E-78173, PubChem14747, AC1OCV8V, SureCN147501, CHEMBL19363, 494577_ALDRICH, Jsp005052, MolPort-000-001-184, ACT04308, (R)-|A-(Aminomethyl)benzyl alcohol, FD1187, OR3013, (R)-1-PHENYL-2-AMINOETHANOL, (R)-alpha-(Aminomethyl)benzyl alcohol, AKOS005255216, RP20359, (2S)-(+)-2-Hydroxy-2-phenylethylamine, AK-34377

Molecular Formula: C8H11NOMolecular Weight: 137.179040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ULSIYEODSMZIPX-QMMMGPOBSA-N

• 1-(4-Fluorophenyl)-2-Methyl-2-Aminopropane Hydrochloride
IUPAC Name: 1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride | CAS Registry Number: 2413-54-9
Synonyms: 1-(4-Fluorophenyl)-2-methylpropan-2-amine hydrochloride, 2-Amino-1-(4-fluorophenyl)-2-methylpropane hydrochloride, 1-(4-fluorophenyl)-2-methylprop-2-ylamine, chloride, SureCN2799159, CTK8C3659, PC4170N, MolPort-001-775-321, ANW-70372, SBB093201, AKOS016002318, AK100302, KB-84072, FT-0605713, A817114, 1,1-Dimethyl-2-(4-fluorophenyl)ethylamine hydrochloride, 1-(4-fluorophenyl)-2-methyl-2-propanamine hydrochloride, 1-(4-Fluorophenyl)-2-methyl-2-aminopropane hydrochloride, 1-(4-fluorophenyl)-2-methyl-propan-2-amine hydrochloride

Molecular Formula: C10H15ClFNMolecular Weight: 203.684203 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WXNVDQWUGUEUMO-UHFFFAOYSA-N

• 1-Bromo-4-Methylcyclohexane
IUPAC Name: 1-bromo-4-methylcyclohexane | CAS Registry Number: 6294-40-2
Synonyms: p-Methylcyclohexyl bromide, Cyclohexane, 1-bromo-4-methyl-, 1-Bromo-4-methylcyclohexane, NSC9388, CID22727, NSC 9388, EINECS 228-559-8, BBV-2069323

Molecular Formula: C7H13BrMolecular Weight: 177.082120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: RLOHLPHAOHGRNM-UHFFFAOYSA-N

• (2-Nitrobenzyl)triphenylphosphonium Brmide
IUPAC Name: (2-nitrophenyl)methyl-triphenylphosphanium bromide | CAS Registry Number: 23308-83-0
Synonyms: NSC226219, ST5409168

Molecular Formula: C25H21BrNO2PMolecular Weight: 478.317501 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ATURWXASWONPRT-UHFFFAOYSA-M

• 2-Chloromandelic acid
IUPAC Name: 2-(2-chlorophenyl)-2-hydroxyacetic acid | CAS Registry Number: 10421-85-9
Synonyms: Maybridge3_004881, (2-Chlorophenyl)glycolic acid, 530182_ALDRICH, NSC31401, EINECS 233-900-9, NSC 31401, SBB003705, IDI1_016268, AI3-07572, Benzeneacetic acid, 2-chloro-alpha-hydroxy-, SR-01000640397-1

Molecular Formula: C8H7ClO3Molecular Weight: 186.592380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RWOLDZZTBNYTMS-UHFFFAOYSA-N

• 1,2,4 Triazole
IUPAC Name: 1H-1,2,4-triazole | CAS Registry Number: 288-88-0
Synonyms: s-Triazole, 1H-1,2,4-Triazole, 1,2,4-TRIAZOLE, 4H-1,2,4-triazole, 1H-1.2.4-Triazole, MET1075A_SUPELCO, T46108_ALDRICH, 4H-1,2,4-Triazole (VAN), C2H3N3, CHEBI:35550, CHEBI:46077, EINECS 206-022-9, NSC 83128, AIDS023082, AIDS-023082, NSC83128, ZINC04897205, AI3-51031, DB03594, LS-155746

Molecular Formula: C2H3N3Molecular Weight: 69.065320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NSPMIYGKQJPBQR-UHFFFAOYSA-N

• (S)-Trityl glycidyl ether
IUPAC Name: (2S)-2-[tri(phenyl)methoxymethyl]oxirane | CAS Registry Number: 129940-50-7
Synonyms: 456268_ALDRICH, (S)-(+)-Trityl glycidyl ether, ZINC04284291, (S)-(−)-Glycidyl trityl ether, TL8000713

Molecular Formula: C22H20O2Molecular Weight: 316.393000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XFSXUCMYFWZRAF-NRFANRHFSA-N

• 1-Phenyl-1-cyclopentanecarboxylic acid
IUPAC Name: 1-phenylcyclopentane-1-carboxylic acid | CAS Registry Number: 77-55-4
Synonyms: 1-Phenylcyclopentanecarboxylic acid, ChemDiv2_000060, 140201_ALDRICH, ALBB-006186, NSC19462, 1-Phenylcyclopentane-carboxylic acid, EINECS 201-037-7, 1-Phenylcyclopentane-1-carboxylic acid, Cyclopentanecarboxylic acid, 1-phenyl-, EU-0034002, A1083/0050846

Molecular Formula: C12H14O2Molecular Weight: 190.238360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RHPCYZLXNNRRMB-UHFFFAOYSA-N

• 1-(2-Carboxyphenyl)Pyrrole
IUPAC Name: 2-pyrrol-1-ylbenzoic acid | CAS Registry Number: 10333-68-3
Synonyms: 2-(1H-pyrrol-1-yl)benzoic acid, 2-(1-Pyrrolyl)Benzoic Acid, 2-(Pyrrol-1-yl)benzoic acid, 2-pyrrolylbenzoic acid, CDS1_000389, AC1LE0WP, Maybridge1_002677, SureCN228778, 2-pyrrol-1-ylbenzoic acid, Oprea1_291568, DivK1c_001429, ACMC-1C700, CTK3J4325, HMS549B15, 1-(2-Carboxyphenyl)-1H-pyrrole, MolPort-000-142-994, BB_SC-5691, KUC107417N, ANW-14891, BBL009661

Molecular Formula: C11H9NO2Molecular Weight: 187.194660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GNWTWXOZRSBCOZ-UHFFFAOYSA-N

• 1,2,3-Triphenylcyclopropene
IUPAC Name: (2,3-diphenylcyclopropen-1-yl)benzene | CAS Registry Number: 16510-49-9
Synonyms: NSC122605, CID97430, EINECS 240-579-9, NSC251525, TRIPHENYLCYCLOPROPENYLIUM, BROMIDE, (2,3-diphenyl-1-cyclopropen-1-yl)benzene, 1,1',1''-(1-Cyclopropene-1,2,3-triyl)trisbenzene, 4919-51-1

Molecular Formula: C21H16Molecular Weight: 268.351740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UFTDGVXRVMJEDI-UHFFFAOYSA-N

• 1-Bromo-5-Chloropentane
IUPAC Name: 1-bromo-5-chloropentane | CAS Registry Number: 54512-75-3
Synonyms: 1-Bromo-5-chloropentane, Pentane, 1-bromo-5-chloro-, 241660_ALDRICH, NSC50474, 16690_FLUKA, CID96070, EINECS 259-193-7, NSC 50474, TL8003573

Molecular Formula: C5H10BrClMolecular Weight: 185.489900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PHHNNDKXQVKJEP-UHFFFAOYSA-N

• (2-Benzimidazolythio)acetic acid
IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)acetic acid | CAS Registry Number: 3042-00-0
Synonyms: Maybridge1_003613, ChemDiv1_000072, NCIStruc1_000413, NCIStruc2_001172, Oprea1_133238, Oprea1_618077, CBDivE_001689, MLS000530168, NSC14186, (1H-benzimidazol-2-ylthio)acetic acid, (2-Benzimidazolylthio)-acetic acid, ALBB-004692, NCI14186, NCGC00013185, NSC-14186, NCGC00096306-01, NCI60_000921, SMR000135145, (1H-benzimidazol-2-ylsulfanyl)acetic acid, EU-0001033

Molecular Formula: C9H8N2O2SMolecular Weight: 208.237020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: UYNVBLJQBCTRKV-UHFFFAOYSA-N

• (R)-(+)-2-Methyl-1-Phenyl-1-Propanol
IUPAC Name: 2-methyl-1-phenylpropan-1-ol | CAS Registry Number: 14898-86-3
Synonyms: 2-Methyl-1-phenyl-1-propanol, .alpha.-Isopropylbenzyl alcohol, 2-Methyl-1-phenylpropan-1-ol, 1-Phenyl-2-methylpropyl alcohol, CID95626, NSC24661, EINECS 210-274-5, NSC179428, Benzenemethanol, alpha-(1-methylethyl)-, BBV-27119000, AI3-04248, Benzenemethanol, .alpha.-(1-methylethyl)-, Benzenemethanol, .alpha.-(1-methylethyl)-, (R)-, Benzenemethanol, alpha-(1-methylethyl)-, (R)-, 611-69-8

Molecular Formula: C10H14OMolecular Weight: 150.217560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GMDYDZMQHRTHJA-UHFFFAOYSA-N

• 1-Naphthoic Acid
IUPAC Name: naphthalene-1-carboxylic acid | CAS Registry Number: 86-55-5
Synonyms: 1-NAPHTHOIC ACID, 1-Carboxynaphthalene, alpha-Naphthoic acid, Carboxynaphthalene, 1-Naphthalenecarboxylic acid, NAPHTHOIC ACID, Naphthalenecarboxylic acid, .alpha.-Naphthoic acid, alpha-Naphthylcarboxylic acid, N1909_ALDRICH, naphthalene-1-carboxylic acid, Naphthalene-alpha-carboxylic acid, 70389_FLUKA, 70390_FLUKA, CHEBI:36466, EINECS 201-681-9, NSC 37569, AIDS034420, AIDS-034420, NSC37569

Molecular Formula: C11H8O2Molecular Weight: 172.180020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LNETULKMXZVUST-UHFFFAOYSA-N

• 1-phenyl-1-hexyne
IUPAC Name: hex-1-ynylbenzene | CAS Registry Number: 1129-65-3
Synonyms: 1-Hexynylbenzene, Benzene, 1-hexynyl-, 1-Phenyl-1-hexyne, 1-Hexyne, 1-phenyl-, 363499_ALDRICH, CID136908, SBB008962, InChI=1/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4H2,1H

Molecular Formula: C12H14Molecular Weight: 158.239560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VBRLZTLFLNZEPZ-UHFFFAOYSA-N

• (-)-Sparteine
Synonyms: Sparteine, lupinidine, Lupinidin, Spartein, (-)-Lupinidine, L-SPARTEINE, Prestwick_426, Sparteine (-), Prestwick3_000618, Sparteine (6CI,8CI), BSPBio_000556, MLS000028889, BPBio1_000612, CHEBI:28827, 6beta,7alpha,9alpha,11alpha-Pachycarpine, NCGC00142614-01, SMR000059203, TL8005816, 6-beta,7-alpha,9-alpha,11-alpha-Pachycarpine, C10783

Molecular Formula: C15H26N2Molecular Weight: 234.380340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SLRCCWJSBJZJBV-ZQDZILKHSA-N

• (1s)-(+)-Menthyl Acetate
IUPAC Name: [(5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate | CAS Registry Number: 5157-89-1
Synonyms: (1S)-(+)-Menthyl acetate, CTK8C6374

Molecular Formula: C12H22O2Molecular Weight: 198.301880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XHXUANMFYXWVNG-GCVQQVDUSA-N

• 1,2-Diphenylcyclopropane
IUPAC Name: (2-phenylcyclopropyl)benzene | CAS Registry Number: 29881-14-9
Synonyms: Diphenylcyclopropane, cis-1,2-Diphenylcyclopropane, 1,2-Diphenylcyclopropane, trans-, CID70824, EINECS 214-511-3, NSC 86504, Benzene, 1,1'-(1,2-cyclopropanediyl)bis-, Cyclopropane, 1,2-diphenyl-, trans- (8CI), (trans)-1,1'-(1,2-Cyclopropanediyl)bisbenzene, Benzene, 1,1'-(1,2-cyclopropanediyl)bis-, cis-, Benzene, 1,1'-(1,2-cyclopropanediyl)bis-, trans- (9CI), 1138-47-2

Molecular Formula: C15H14Molecular Weight: 194.271660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZSIYTDQNAOYUNE-UHFFFAOYSA-N

• 1-Fluorotetradecane
IUPAC Name: 1-fluorotetradecane | CAS Registry Number: 73180-09-3
Synonyms: Fluorotetradecane, Myristyl fluoride, Tetradecyl fluoride, Tetradecane, fluoro-, Tetradecane, 1-fluoro-, CID79053, EINECS 209-788-2, EINECS 277-311-5, 593-33-9

Molecular Formula: C14H29FMolecular Weight: 216.378463 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YRDSYPITPPQNED-UHFFFAOYSA-N

• 1-cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptene
IUPAC Name: 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-1-en-2-yl]-1,3,2-dioxaborolane | CAS Registry Number: 307531-74-4
Synonyms: 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-1-en-2-yl]-1,3,2-dioxaborolane, AC1MCN6H, SureCN10299938, MCULE-4763511860, A820609

Molecular Formula: C19H36B2O4Molecular Weight: 350.108740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KBMWLQPDFRGVTD-UHFFFAOYSA-N

• (2-Carboxyphenyl)iminodiacetic acid
IUPAC Name: 2-[bis(carboxymethyl)amino]benzoic acid | CAS Registry Number: 1147-65-5
Synonyms: SBB057919, 2-[bis(carboxymethyl)amino]benzoic acid, (2-CARBOXYPHENYL)IMINODIACETIC ACID, ACMC-20appp, SureCN129880, AC1LA09A, CTK0G0915, AKOS004117675, N,N-Bis(carboxymethyl)anthranilic acid, AG-D-35244, MCULE-6815441066, Benzoic acid, 2-[bis(carboxymethyl)amino]-, ST50410240

Molecular Formula: C11H11NO6Molecular Weight: 253.208140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: IKEUZCGOPYSHNN-UHFFFAOYSA-N

• 1-Naphthalenemethanol
IUPAC Name: naphthalen-1-ylmethanol | CAS Registry Number: 4780-79-4
Synonyms: 1-Naphthylmethanol, 1-NAPHTHALENEMETHANOL, 1-Menaphthyl alcohol, 1-Hydroxymethylnaphthalene, Naphthalene-1-methanol, 1-Naphthylenemethanol, alpha-Naphthylcarbinol, alpha-Naphthylmethanol, 1-Naphthylmethyl alcohol, (1-naphthyl)methanol, Ambap7266, (naphthalen-1-yl)methanol, 184284_ALDRICH, NSC 5315, CHEBI:38137, DAlc2-H_000044, EINECS 225-324-1, NSC5315, BRN 2042532, c0720

Molecular Formula: C11H10OMolecular Weight: 158.196500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PBLNHHSDYFYZNC-UHFFFAOYSA-N

• 1-(Phenylsulfonyl)pyrrole
IUPAC Name: 1-phenylsulfonylpyrrole | CAS Registry Number: 16851-82-4
Synonyms: N-Benzenesulphonylpyrrole, Maybridge3_000405, 1-(Phenylsulfonyl)-1H-pyrrole, 1-Benzenesulfonyl-1H-pyrrole, 438839_ALDRICH, NSC102019, ZINC00092362, IDI1_011792, ST5306856

Molecular Formula: C10H9NO2SMolecular Weight: 207.248960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PPPXRIUHKCOOMU-UHFFFAOYSA-N

• 1-butynyl-1-cyclopentanol
IUPAC Name: 1-but-1-ynylcyclopentan-1-ol | CAS Registry Number: 155879-96-2
Synonyms: 1-(1-BUTYNYL)CYCLOPENTANOL, AGN-PC-01NPRW, SureCN6894297, 1-but-1-ynylcyclopentan-1-ol, CTK4C8868, Cyclopentanol,1-(1-butyn-1-yl)-, AKOS006228467, AG-E-04389, KB-146267, FT-0605465, I14-39086, Cyclopentanol,1-(1-butynyl)- (9CI);1-(1-Butynyl)cyclopentanol;

Molecular Formula: C9H14OMolecular Weight: 138.206860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MUYNZFHFJRJANX-UHFFFAOYSA-N

• 1-(2-Chlorophenyl)Imidazole
IUPAC Name: 1-(2-chlorophenyl)imidazole | CAS Registry Number: 51581-50-1
Synonyms: 1-(2-Chlorophenyl)imidazole, 1-(2-Chlorophenyl)-1H-imidazole, ZINC00157127, CID142858, LT00848348

Molecular Formula: C9H7ClN2Molecular Weight: 178.618280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZGGZGKAVJNFVHE-UHFFFAOYSA-N

• 1,2-Dodecanediol
IUPAC Name: dodecane-1,2-diol | CAS Registry Number: 1119-87-5
Synonyms: Lauryl glycol, Dodecane-1,2-diol, 213721_ALDRICH, NSC25930, CID92866, EINECS 214-289-8, AI3-13236

Molecular Formula: C12H26O2Molecular Weight: 202.333640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZITKDVFRMRXIJQ-UHFFFAOYSA-N

• 1-Dodecylimidazole
IUPAC Name: 1-dodecylimidazole | CAS Registry Number: 4303-67-7
Synonyms: N-Dodecylimidazole, N-Laurylimidazole, 1-Laurylimidazole, Imidazole, 1-dodecyl-, Ambap998, 1-Dodecyl-1H-imidazole, 1H-Imidazole, 1-dodecyl-, EINECS 224-314-4, NSC 307267, C15H28N2, CID78002, BRN 0609993, NSC307267, LS-78547, 5-23-04-00264 (Beilstein Handbook Reference), 42935-06-8

Molecular Formula: C15H28N2Molecular Weight: 236.396220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JMTFLSQHQSFNTE-UHFFFAOYSA-N

• 1-cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentene
IUPAC Name: 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-1,3,2-dioxaborolane | CAS Registry Number: 307531-75-5
Synonyms: 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-1,3,2-dioxaborolane, AC1MCN6N, SureCN13030813, MCULE-6139566995, A820610

Molecular Formula: C17H32B2O4Molecular Weight: 322.055580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MXQDNQSRLNMUOP-UHFFFAOYSA-N

• (S)-(-)-N-Isopropyl-1-Phenylethylamine Hydrochloride
IUPAC Name: N-(1-phenylethyl)propan-2-amine;hydrochloride | CAS Registry Number: 116297-12-2
Synonyms: 128593-72-6, (R)-N-ISOPROPYL-1-PHENYLETHYLAMINE HYDROCHLORIDE, ACMC-20aphm, ACMC-20apid, (R)-(+)-N-Isopropyl-1-phenylethylamine hydrochloride

Molecular Formula: C11H18ClNMolecular Weight: 199.720320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: SVRDLWQPQZOASL-UHFFFAOYSA-N

• (+)-2,3,O-Isopropylidene-L-Threitol
IUPAC Name: [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol | CAS Registry Number: 50622-09-8
Synonyms: NSC254136, EINECS 256-658-6, EINECS 277-391-1, CID318275, (+)-2,3-O-Isopropylidene-L-threitol, (-)-2,3-O-Isopropylidene-d-threitol, 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, D-(-)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol, L-(+)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol, 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4R-trans)-, 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4S-trans)-, 25432-12-6, 73346-74-4

Molecular Formula: C7H14O4Molecular Weight: 162.183660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: INVRLGIKFANLFP-UHFFFAOYSA-N


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