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Chemspecial Ltd.

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Profile: ChemSpecial supports pharmaceutical, biotech and agrochemical industries in their research, development and manufacture. Custom synthesis products and pharmaceutical intermediates forms our core business. We are also devoted to innovative chemical process technologies for the production of key pharmaceutical intermediates and active pharmaceutical ingredients.

Our offer includes Heterocyclic building blocks, Organic building blocks, Chiral building blocks, Amino acids and derivatives, Organofluoride and organosilicon materials and Organic electronic & photonic materials.

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• 3-Cyclopenten-1-ol, 2-[(phenylmethoxy)methyl]-, (1R,2S)-
IUPAC Name: (1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol | CAS Registry Number: 188399-48-6
Synonyms: (1R,2S)-2-[(Phenylmethoxy)methyl]-3-cyclopenten-1-ol, SureCN865302, CTK8B8269, MolPort-008-155-926, ANW-59857, AC-5916, BCP9000023, LS30282, AK-33870, BCP0726000061, KB-205317, X6281, (1s-trans)-2-[(phenylmethoxy)methyl]-3-cyclopenten-1-ol

Molecular Formula: C13H16O2Molecular Weight: 204.264940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WACMQXMZXZTKIV-QWHCGFSZSA-N

• 3-Fluoro-N-methylbenzylamine
IUPAC Name: 1-(3-fluorophenyl)-N-methylmethanamine | CAS Registry Number: 90389-84-7
Synonyms: Benzylamine der, 631108_ALDRICH, AIDS011076, AIDS-011076, Benzenemethanamine, 3-fluoro-N-methyl-, 90389-40-5 (HYDROCHLORIDE), T0520-0555

Molecular Formula: C8H10FNMolecular Weight: 139.170103 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZXWCKKSSCIFVBT-UHFFFAOYSA-N

• 3-hydroxy-pyrrolidine-1-carboxylic Acid Tert-butyl Ester
IUPAC Name: tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate | CAS Registry Number: 103057-44-9
Synonyms: N-Boc-3-hydroxypyrrolidine, 532169_ALDRICH, (R)-1-N-Boc-3-hydroxypyrrolidine, (R)-(−)-N-Boc-3-pyrrolidinol, TL8000302, N-tert-Butoxycarbonyl-(R)-(−)-3-pyrrolidinol

Molecular Formula: C9H17NO3Molecular Weight: 187.236180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: APCBTRDHCDOPNY-SSDOTTSWSA-N

• 3-Hydroxymethylphenylboronic Acid
IUPAC Name: [3-(hydroxymethyl)phenyl]boronic acid | CAS Registry Number: 87199-15-3
Synonyms: 3-(Hydroxymethyl)phenylboronic acid, 512834_ALDRICH, BM436, TL8005659

Molecular Formula: C7H9BO3Molecular Weight: 151.955560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: HGTDLKXUWVKLQX-UHFFFAOYSA-N

• 3-Indoleacetic acid
IUPAC Name: 2-(1H-indol-3-yl)acetic acid | CAS Registry Number: 87-51-4
Synonyms: indoleacetic acid, Heteroauxin, Rhizopin, auxin, indole-3-acetic acid, indoleacetate, Hexteroauxin, Rhizopon A, 1H-Indole-3-acetic acid, indole-3-acetate, Acetic acid, indolyl-, 3-Iaa, beta-Indoleacetic acid, 3-(Carboxymethyl)indole, Heteroauxinhexteroauxiniaa, alpha-IAA, beta-Indolylacetic acid, Indol-3-ylacetic acid, beta-IAA, 3-Indolylacetic acid

Molecular Formula: C10H9NO2Molecular Weight: 175.183960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SEOVTRFCIGRIMH-UHFFFAOYSA-N

• 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-7-hydroxy-, (3R)-
IUPAC Name: (3R)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | CAS Registry Number: 152286-30-1
Synonyms: H-7-Hydroxy-D-Tic-OH, (R)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3R)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, D-7-HYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID, AmbotzHAA6560, AC1Q71DB, SureCN1280052, 3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-7-hydroxy-, (3R)-, CTK0H4247, MolPort-000-140-569, ANW-56571, WTI-10393, AKOS006275194, AKOS015856356, AG-A-07111, AK-28802, EN000421, KB-63252, FT-0643091, FT-0643482

Molecular Formula: C10H11NO3Molecular Weight: 193.199240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: HIKCRLDSCSWXML-SECBINFHSA-N

• 3-Piperidinecarboxylic acid, methyl ester, (R)- (9CI)
IUPAC Name: methyl (3R)-piperidine-3-carboxylate | CAS Registry Number: 164323-85-7
Synonyms: (R)-Methyl nipecotate, (R)-Methyl piperidine-3-carboxylate, METHYL (R)-NIPECOTATE, methyl (3R)-piperidine-3-carboxylate, AG-E-14140, (R)-Methylnipecotate, Methyl (R )-nipecotate, CTK4D1783, MolPort-003-987-545, ACT04198, ANW-45299, FC0471, (R)-3-Methyl piperidridinelarboxylate, AKOS005259831, PB34398, AK-60117, KB-03395, S981, (R)-3-METHYL PIPERIDINECARBOXYLATE, TL8006207

Molecular Formula: C7H13NO2Molecular Weight: 143.183620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BCDBHIAXYFPJCT-ZCFIWIBFSA-N

• 3-Piperidinol, 2-Phenyl-1-(phenylmethyl)-, (2S,3S)-
IUPAC Name: (2S,3S)-1-benzyl-2-phenylpiperidin-3-ol | CAS Registry Number: 250589-64-1
Synonyms: (2S,3S)-1-N-Benzyl-3-hydroxy-2-phenylpiperidine, (2s,3s)-1-benzyl-2-phenyl-piperidin-3-ol, CTK4F4885, AB22846, AG-E-75608, S14-2525, S14-2526, 3-Piperidinol,2-phenyl-1-(phenylmethyl)-, (2S,3S)-, 3-PIPERIDINOL, 2-PHENYL-1-(PHENYLMETHYL)-, (2S,3S)-

Molecular Formula: C18H21NOMolecular Weight: 267.365440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FPHQSHFUYFORCS-ROUUACIJSA-N

• 3-Pyrrolidinecarboxylic Acid, 1-(phenylmethyl)-, (3r)-
IUPAC Name: (3R)-1-benzylpyrrolidine-3-carboxylic acid | CAS Registry Number: 216311-57-8
Synonyms: (R)-1-benzylpyrrolidine-3-carboxylic acid, (R)-1-N-Benzyl-beta-proline, (R)-1-Benzyl-pyrrolidine-3-carboxylic acid, (3R)-1-(PHENYLMETHYL)-3-PYRROLIDINECARBOXYLIC ACID, (R)-1-Benzyl-pyrrolidine-3-carboxylicacid, AC1LTTBC, PubChem11131, (R)-1-N-Benzyl-beta-proline;, CTK1A0107, MolPort-000-001-902, ANW-24524, AB19876, AG-A-07150, RP26180, (R)-1-Benzylpyrrolidine-3-carboxylicacid, AK-34114, KB-02734, (R)-1-Benzylpyrrilidine-3-carboxylic acid, (R)-1-Benzyl-3-pyrrolidinecarboxylic Acid, (3R)-1-benzylpyrrolidine-3-carboxylic acid

Molecular Formula: C12H15NO2Molecular Weight: 205.253000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RLRDUQNUBMAYDS-LLVKDONJSA-N

• 3-Thiazolidinecarboxylic Acid, 4-(aminomethyl)-, 1,1-Dimethylethyl Ester, (4R)-
IUPAC Name: tert-butyl (4R)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate | CAS Registry Number: 391248-13-8
Synonyms: (R)-4-Aminomethyl-thiazolidine-3-carboxylic acid tert-butyl ester, (R)-tert-butyl 4-(aminomethyl)thiazolidine-3-carboxylate, (R)-4-Aminomethyl-thiazolidine-3-carboxylicacidtert-butylester, AC1MBTQI, SureCN3307919, (R)-4-AMINOMETHYLTHIAZOLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTER, CTK4I0962, ACT05113, ACT09660, AG-F-38112, AK139222, FT-0630217, (R)-4-AMINOMETHYL-3-BOC-THIAZOLIDINE, A-2436, A13140, r-4-aminomethyl-thiazolidine-3-carboxylic acid tert-butyl ester, (R)-4-Aminomethylthiazolidine-3-carboxylicacid tert-butyl ester;, tert-butyl (4R)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate, 3-Thiazolidinecarboxylicacid, 4-(aminomethyl)-, 1,1-dimethylethyl ester, (4R)-, 231248-13-8

Molecular Formula: C9H18N2O2SMolecular Weight: 218.316420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XRUIGLRQDKZXKJ-SSDOTTSWSA-N

• 3H-Indolium, 1-Ethyl-3,3-Dimethyl-2-[2-(phenylamino)ethenyl]-5-Sulfo-, Inner Salt
IUPAC Name: 2-[(E)-2-anilinoethenyl]-1-ethyl-3,3-dimethylindol-1-ium-5-sulfonate | CAS Registry Number: 146368-09-4
Synonyms: (E)-1-ETHYL-3,3-DIMETHYL-2-[2-(PHENYLAMINO)VINYL]-INDOLENINIUM-5-SULFONATE, 3H-Indolium-1-ethyl-3,3-dimethyl-2-[2-(phenylamino)-ethyenyl-5-sulfo] inner salt, AKOS015841947, AK102542, KB-32078, I06-2168, 3H-Indolium,1-ethyl-3,3-Dimethyl-2-[2-(phenylamino)ethenyl]-5-Sulfo,inner, 3H-INDOLIUM,1-ETHYL-3,3-DIMETHYL-2-[2-(PHENYLAMINO)ETHENYL]-5-SULFO,INNER SALT, 3H-Indolium,1-Ethyl-3,3-Dimethyl-2-[2-(phenylamino)ethenyl]-5-Sulfo,inner salt.

Molecular Formula: C20H22N2O3SMolecular Weight: 370.465280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DZZLKLFMSFKOPT-UHFFFAOYSA-N

• 4-[2-(piperazin-1-Yl)acetyl]morpholine
IUPAC Name: 1-morpholin-4-yl-2-piperazin-1-ylethanone | CAS Registry Number: 39890-46-5
Synonyms: NSC332546, 1-(Morpholinocarbonylmethyl)piperazine, BB_SC-3471, 4-(piperazin-1-ylacetyl)morpholine, ALBB-006141, EINECS 254-679-5, CID100622, STK500373, 4-(1-(1-Piperazine)acetyl)morpholine, 1-Morpholin-4-yl-2-piperazin-1-yl-ethanone, 1-(morpholin-4-yl)-2-(piperazin-1-yl)ethanone

Molecular Formula: C10H19N3O2Molecular Weight: 213.276760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LISKJKUMLVQGKE-UHFFFAOYSA-N

• 4-{[(Methylphenylamino)methylene]amino}benzoic acid
IUPAC Name: ethyl 4-[(N-methylanilino)methylideneamino]benzoate | CAS Registry Number: 57834-33-0
Synonyms: CID93817, EINECS 260-976-0, Ethyl 4-(((methylphenylamino)methylene)amino)benzoate, Benzoic acid, 4-(((methylphenylamino)methylene)amino)-, ethyl ester

Molecular Formula: C17H18N2O2Molecular Weight: 282.337020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: GNGYPJUKIKDJQT-UHFFFAOYSA-N

• 4-Amidinophenylacetic acid
IUPAC Name: 2-(4-carbamimidoylphenyl)acetic acid | CAS Registry Number: 39244-83-2
Synonyms: 2-(4-carbamimidoylphenyl)acetic Acid, 4-AMIDINOPHENYLACETIC ACID, (4-Carbamimidoylphenyl)acetic acid, SureCN6940225, CTK4I1180, AKOS006294400, 2-(4-carbamimidoylphenyl)ethanoic acid, AB18250, AG-F-38631, Benzeneacetic acid,4-(aminoiminomethyl)-, KB-188956, (4-CARBAMIMIDOYL-PHENYL)-ACETIC ACID, 4-(AMINOIMINOMETHYL)-BENZENEACETIC ACID, A824485, BENZENEACETIC ACID, 4-(AMINOIMINOMETHYL)-, I01-7991, 4-Amidinophenylaceticacid;p-Amidinophenylacetic acid;

Molecular Formula: C9H10N2O2Molecular Weight: 178.187900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: SSGFEOFDJDCDCI-UHFFFAOYSA-N

• 4-benzyloxyphenylhydrazine Hydrochloride
IUPAC Name: (4-phenylmethoxyphenyl)hydrazine hydrochloride | CAS Registry Number: 52068-30-1
Synonyms: EINECS 257-636-9, 4-Benzyloxyphenylhydrazine hydrochloride, D1259, (4-(Benzyloxy)phenyl)hydrazine monohydrochloride

Molecular Formula: C13H15ClN2OMolecular Weight: 250.724000 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: OVNUPJXMCMTQCN-UHFFFAOYSA-N

• 4-BMA
IUPAC Name: (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoic acid | CAS Registry Number: 90776-58-2
Synonyms: 4-bma, side chain for imipenem, (3S,4S)-3-((R)-(tert-Butyldimethyl-silyloxy)ethyl)-4((R)-carboxyethyl)-2-azetidinone, (3S,4S)-3-[(R)-1-(tert-Butyldimethylsilyloxy)ethyl]-4-[(R)-1-carboxyethyl]-2-azetidinone, (3s,4s)-4-[(r)-1-carboxyethyl]-3-[(r)-1-(t-butyldimethylsilyloxy)ethyl]-2-azetidinone, (r)-2-((2s,3s)-3-((r)-1-(tert-butyldimethylsilyloxy)ethyl)-4-oxoazetidin-2-yl)propanoic acid, (r)-2-[(3s,4s)-3-[(r)-1-(tert-butyldimethylsilyloxy)ethyl]-2-oxoazetidin-4-yl]propionic acid, 4bma, SureCN2328228, CTK5G8408, (3S,4S)-4-[(R)-1-carboxy-ethyl]-3-[(R)-1-(t-butyldimethylsilyloxy)ethyl]-2-azetidinone, MolPort-003-987-419, ANW-39519, AKOS015836361, AKOS015950795, AC-4274, AG-L-25025, AK-94048, K799, AB1004615

Molecular Formula: C14H27NO4SiMolecular Weight: 301.453980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: NNANGMFTFSNDLW-GWOFURMSSA-N

• 4-Boc-3(R)-morpholinecarboxylic acid
IUPAC Name: (3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid | CAS Registry Number: 869681-70-9
Synonyms: (r)-4-(tert-butoxycarbonyl)morpholine-3-carboxylic acid, (r)-4-boc-morpholine-3-carboxylic acid, (R)-N-Boc-morpholine-3-carboxylic acid, (R)-Morpholine-3,4-dicarboxylic acid 4-tert-butyl ester, (r)-4-n-boc-3-morpholinecarboxylic acid, AmbotzBAA5270, AC1LTQCB, BOC-R-MO3C-OH, SureCN186174, CTK7I3628, MolPort-000-001-543, BH059, ACN-S002963, ACT08803, ANW-48560, FC0073, RW3939, AKOS015841580, AKOS015912493, AB19231

Molecular Formula: C10H17NO5Molecular Weight: 231.245680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: KVXXEKIGMOEPSA-SSDOTTSWSA-N

• 4-Boc-piperazine-2-(R)-carboxylic acid
IUPAC Name: (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid | CAS Registry Number: 192330-11-3
Synonyms: (r)-1-boc-piperazine-3-carboxylic acid, r-bpca, (R)-4-Boc-Piperazine-2-carboxylic acid, (R)-4-N-Boc-piperazine-2-carboxylic acid, (4-n-boc)piperazine(2r) cooh, AG-E-40515, (r)-4-(tert-butoxycarbonyl)piperazine-2-carboxylic acid, 1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (R)-, (r)-piperazine-1,3-dicarboxylic acid 1-tert-butyl ester, (r)-1,3-piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (R)-4-N-Boc-piperazine-2-carboxylicacid, SureCN796400, AC1O6ND0, CTK4E0978, MolPort-000-001-479, ANW-47591, AKOS007930795, AC-2199, PB14279, RP05530

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

InChIKey: YRYAXQJXMBETAT-SSDOTTSWSA-N

• 4-Bromo-1,2-epoxybutane
IUPAC Name: 2-(2-bromoethyl)oxirane | CAS Registry Number: 13287-42-8
Synonyms: (2-Bromoethyl)ocirane, 2-(2-Bromoethyl)oxirane, 1,2-Epoxy-4-bromobutane, Ocirane, (2-bromoethyl)-, Oxirane, (2-bromoethyl)-, NSC295369

Molecular Formula: C4H7BrOMolecular Weight: 151.001780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZKODPGZNBMIZFX-UHFFFAOYSA-N

• 4-Bromo-D-Phenylalanine Hydrochloride
IUPAC Name: (2R)-2-amino-3-(4-bromophenyl)propanoic acid;hydrochloride | CAS Registry Number: 122852-33-9
Synonyms: (R)-4-Bromophenylalanine Hydrochloride Salt, D-Phenylalanine,4-bromo-, hydrochloride (9CI), PubChem23285, CTK4B3291, 4-Bromo-D-phenylalanine hydrochloride, AKOS015843840, AG-L-21312, KB-190107

Molecular Formula: C9H11BrClNO2Molecular Weight: 280.546140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: GRWMPXZZFAPLFZ-DDWIOCJRSA-N

• 4-Bromotriphenylamine
IUPAC Name: 4-bromo-N,N-diphenylaniline | CAS Registry Number: 36809-26-4
Synonyms: 4-bromo-N,N-diphenylaniline, (4-Bromo-phenyl)-diphenyl-amine, (4-Bromophenyl)diphenylamine, 4-bromo triphenylamine, 4-BROMOPHENYL DIPHENYLAMINE, benzenamine, 4-bromo-N,N-diphenyl-, ST51043762, PubChem6989, ACMC-209iou, AC1LD5WH, SureCN24576, AGN-PC-0CX4A2, (4-bromophenyl)-diphenyl-amine, 643831_ALDRICH, CTK5I7458, MolPort-002-500-194, ACN-S002656, ACT04870, ANW-28492, ZINC05589702

Molecular Formula: C18H14BrNMolecular Weight: 324.214460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SQTLUXJWUCHKMT-UHFFFAOYSA-N

• 4-Chloro-3-pyridylcarbinol
IUPAC Name: (4-chloropyridin-3-yl)methanol | CAS Registry Number: 189449-41-0
Synonyms: (4-chloropyridin-3-yl)methanol, (4-chloro-3-pyridinyl) methanol, (4-chloro-3-pyridinyl)methanol, PubChem12981, AC1L8YRQ, SureCN1261879, 3-Pyridinemethanol,4-chloro-, Jsp003895, CTK4E0139, MolPort-003-987-836, (4-Chloro-pyridin-3-yl)-methanol, 4-Chloro-3-(hydroxymethyl)pyridine, ACT07419, ANW-74841, ZINC01585512, AKOS006345297, AC-1847, AG-E-38340, OR13855, QC-9111

Molecular Formula: C6H6ClNOMolecular Weight: 143.570940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FYKNUGKDTZRYJM-UHFFFAOYSA-N

• 4-Chloroindole
IUPAC Name: 4-chloro-1H-indole | CAS Registry Number: 25235-85-2
Synonyms: 4-Chloro-1H-indole, 1H-Indole, 4-chloro-, 246220_ALDRICH, ALBB-006049, NSC88141, EINECS 246-747-8, NSC 88141, SBB004057, ZINC00407089, C2290G1, TL806304, C-4200

Molecular Formula: C8H6ClNMolecular Weight: 151.592940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SVLZRCRXNHITBY-UHFFFAOYSA-N

• 4-Chlorophenyl trifluoromethyl sulfide
IUPAC Name: 1-chloro-4-(trifluoromethylsulfanyl)benzene | CAS Registry Number: 407-16-9
Synonyms: 4-CHLOROPHENYL TRIFLUOROMETHYL SULFIDE, 4-(Trifluoromethylthio)chlorobenzene, 4-chlorophenyltrifluoromethylsulphide, SBB061872, 1-chloro-4-(trifluoromethylthio)benzene, 1-chloro-4-[(trifluoromethyl)sulfanyl]benzene, ZINC00153664, AC1LEGSN, AC1Q3OOC, AC1Q4KJC, SureCN8941845, CTK4I3625, MolPort-000-873-311, AR-1G1963, AKOS002662887, AG-B-82233, AG-F-44599, 4-chloro-1-(trifluoromethylthio)benzene, KB-85380, 1-chloro-4-(trifluoromethylsulfanyl)benzene

Molecular Formula: C7H4ClF3SMolecular Weight: 212.619870 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ATFBQTUDGRJCNB-UHFFFAOYSA-N

• 4-Hydroxymethylphenylboronic Acid
IUPAC Name: [4-(hydroxymethyl)phenyl]boronic acid | CAS Registry Number: 59016-93-2
Synonyms: Ambap2478, 512338_ALDRICH, 4-(Hydroxymethyl)phenylboronic acid, 4-Hydroxymethyl phenyl boronic acid, FS011452, TL806277

Molecular Formula: C7H9BO3Molecular Weight: 151.955560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: PZRPBPMLSSNFOM-UHFFFAOYSA-N

• 4-Hydroxypiperidine
IUPAC Name: piperidin-4-ol | CAS Registry Number: 5382-16-1
Synonyms: 4-Piperidinol, Piperidin-4-ol, 128775_ALDRICH, NSC62083, 56220_FLUKA, BB_SC-2766, CID79341, EINECS 226-373-1, NSC 62083, TL806407, AI3-39158

Molecular Formula: C5H11NOMolecular Weight: 101.146940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HDOWRFHMPULYOA-UHFFFAOYSA-N

• 4-isoPropyl thiophenol
IUPAC Name: 4-propan-2-ylbenzenethiolate | CAS Registry Number: 4946-14-9
Synonyms: ZINC02168557, CID7004974

Molecular Formula: C9H11S-Molecular Weight: 151.248640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: APDUDRFJNCIWAG-UHFFFAOYSA-M

• 4-Methoxy-3-pyridineboronic acid
IUPAC Name: (4-methoxypyridin-3-yl)boronic acid | CAS Registry Number: 355004-67-0
Synonyms: 4-METHOXYPYRIDINE-3-BORONIC ACID, (4-methoxypyridin-3-yl)boronic Acid, 4-methoxypyridin-3-ylboronic acid, 3-Borono-4-methoxypyridine, 4-methoxy-3-pyridylboronic acid, AG-F-22923, 4-Methoxy-3-pyridinylboronic acid, F1921-0002, ACMC-209iha, SureCN315260, AC1MC71D, AC1Q45BD, CTK4H4665, MolPort-000-141-038, ANW-28220, SBB038986, STL227687, AKOS000266994, AB08335, AG-H-41673

Molecular Formula: C6H8BNO3Molecular Weight: 152.943620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YUTPAZKVEOJQCY-UHFFFAOYSA-N

• 4-Methoxyphenylthiourea
IUPAC Name: (4-methoxyphenyl)thiourea | CAS Registry Number: 2293-07-4
Synonyms: p-Anisylthiourea, N-p-Anisylthiourea, (p-Methoxyphenyl)thiourea, (4-Methoxyphenyl)thiourea, N-(4-Methoxyphenyl)thiourea, 4-Methoxyphenyl thiourea, N-(p-Methoxyphenyl)thiourea, Thiourea, (4-methoxyphenyl)-, Maybridge1_001492, WLN: SUYZMR DO1, 1-(4-Methoxyphenyl)thiourea, NSC 79869, EINECS 218-931-8, AIDS114905, NSC 402583, AIDS-114905, NSC79869, CID667549, NSC402583, UREA, 1-(p-METHOXYPHENYL)-2-THIO-

Molecular Formula: C8H10N2OSMolecular Weight: 182.242800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: SRYLJBWDZZMDSK-UHFFFAOYSA-N

• 4-methylthioanisole
IUPAC Name: 1-methyl-4-methylsulfanylbenzene | CAS Registry Number: 623-13-2
Synonyms: 4-(Methylthio)toluene, Methyl p-tolyl sulfide, p-(Methylthio)toluene, Sulfide, methyl p-tolyl, p-Tolyl methyl sulfide, Methyl p-cresyl sulfide, p-Cresyl methyl sulfide, Methyl p-tolyl sulphide, p-Methylphenyl methyl sulfide, 4-Methyl-(1-thiaethyl)benzene, Benzene, 1-methyl-4-(methylthio)-, 275956_ALDRICH, 1-methyl-4-methylsulfanylbenzene, Sulfide, methyl p-tolyl (8CI), NSC6256, NSC 6256, EINECS 210-773-8, ZINC01693361, AI3-18866, TL8004105

Molecular Formula: C8H10SMolecular Weight: 138.230000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VHILIAIEEYLJNA-UHFFFAOYSA-N

• 4-N-Benzyl-2-Hydroxymethylpiperazine
IUPAC Name: (4-benzylpiperazin-2-yl)methanol | CAS Registry Number: 85817-34-1
Synonyms: AmbTiB67335, (4-benzylpiperazin-2-yl)methanol, (4-Benzyl-piperazin-2-yl)-methanol, CID2756656, B67335

Molecular Formula: C12H18N2OMolecular Weight: 206.284120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PJMFGDYBTJEEDP-UHFFFAOYSA-N

• 4-Nitro-D-Phenylalanine Hydrochloride
IUPAC Name: (2R)-2-amino-3-(4-nitrophenyl)propanoic acid;hydrochloride | CAS Registry Number: 147065-06-3
Synonyms: (R)-4-Nitrophenylalanine Hydrochloride Salt, PubChem23305, AKOS015891230, I01-8983

Molecular Formula: C9H11ClN2O4Molecular Weight: 246.647640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: XNPWOQZTJFYSEI-DDWIOCJRSA-N

• 4-Nitrobenzyl acetoacetate
IUPAC Name: (4-nitrophenyl)methyl 3-oxobutanoate | CAS Registry Number: 61312-84-3
Synonyms: (4-nitrophenyl)methyl 3-oxobutanoate, 4-nitrobenzyl 3-oxobutanoate, p-nitrobenzyl acetoacetate, AG-G-23264, ZINC04290322, ACMC-209mrc, AC1MC3RN, SureCN5765803, KSC493O5D, CTK3J3751, MolPort-000-159-362, Acetoacetic Acid 4-Nitrobenzyl Ester, ANW-33766, SBB065112, (4-Nitrophenyl)methyl-3-oxobutanoate, AKOS015890400, RP03975, RP23317, AK111412, KB-62873

Molecular Formula: C11H11NO5Molecular Weight: 237.208740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KQPGVCMZXFBYMM-UHFFFAOYSA-N

• 4-Pentenoic acid, 2-amino-2-methyl-, (2S)-
IUPAC Name: (2S)-2-amino-2-methylpent-4-enoic acid | CAS Registry Number: 96886-55-4
Synonyms: (S)-2-Amino-2-Methyl-4-Pentenoic Acid, (S)-2-Amino-2-methylpent-4-enoic acid, (2S)-2-amino-2-methylpent-4-enoic acid, (R)-2-Amino-2-Methyl-4-Pentenoic Acid, AmbotzHAA5250, L-A-ALLYLALANINE, A-ALLYL-L-ALA, ALPHA-ALLYL-L-ALA, H-A-ALL-ALA-OH, L-ALPHA-ALLYLALANINE, (S)-A-ALLYLALANINE, AC1MC5L8, (S)-(-)-|A-Allylalanine, H-ALPHA-ALL-L-ALA-OH, CTK5H9000, MolPort-004-773-365, (S)-(-)-ALPHA-ALLYLALANINE, ANW-73300, (S)-ALPHA-METHYL-ALLYLGLYCINE, AKOS006342338

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

InChIKey: QMBTZYHBJFPEJB-LURJTMIESA-N

• 4-Phenoxyphenylacetic acid
IUPAC Name: 2-[4-(phenoxy)phenyl]acetic acid | CAS Registry Number: 6328-74-1
Synonyms: Ambap6065, 665053_ALDRICH, 2-(4-Phenoxyphenyl)acetic acid, NSC43857, CID239077

Molecular Formula: C14H12O3Molecular Weight: 228.243280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VARVNFDGRLLTCI-UHFFFAOYSA-N

• 4-Piperidinamine, N-methyl-1-(phenylmethyl)-
IUPAC Name: 1-benzyl-N-methylpiperidin-4-amine | CAS Registry Number: 7006-50-0
Synonyms: 1-benzyl-N-methylpiperidin-4-amine, 1-BENZYL-N-METHYL-4-PIPERIDINAMINE, 4-(Methylamino)-1-benzylpiperidine, AG-G-73439, PubChem7928, benzylmethylpiperidinamine, AC1N4XIL, SureCN360075, CTK5D1768, MolPort-004-308-811, ACN-S003665, methyl[1-benzyl(4-piperidyl)]amine, ANW-74819, SBB093363, (1-benzylpiperidin-4-yl)-methylamine, 1-Benzyl-4-(N-methyl)piperidinamine, AKOS000147551, AC-2785, AG-B-81977, MCULE-2001584644

Molecular Formula: C13H20N2Molecular Weight: 204.311300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RGEQSTMITLEXKD-UHFFFAOYSA-N

• 4-tert-Butylphenylacetic acid
IUPAC Name: 2-(4-tert-butylphenyl)acetic acid | CAS Registry Number: 32857-63-9
Synonyms: Acetic acid, (p-tert-butylphenyl)-, EINECS 251-264-0, Benzeneacetic acid, 4-(1,1-dimethylethyl)-

Molecular Formula: C12H16O2Molecular Weight: 192.254240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RUAYXHSDAMWEDR-UHFFFAOYSA-N

• 5-Amino-1H-pyrazole-3-acetic acid
IUPAC Name: 2-(3-amino-1H-pyrazol-5-yl)acetic acid | CAS Registry Number: 174891-10-2
Synonyms: (5-amino-2h-pyrazol-3-yl)-acetic acid, 2-(3-Amino-1H-pyrazol-5-yl)acetic acid, (5-Amino-2H-pyrazol-3-yl)acetic acid, (5-Amino-2H-pyrazol-3-yl)-aceticacid, SureCN1346490, SureCN1592992, CTK0G9457, MolPort-009-198-338, ANW-48328, 1H-Pyrazole-3-aceticacid, 5-amino-, AKOS006311024, AKOS015898081, AG-E-24587, PB13219, QC-4841, RP08497, AK-33707, BR-33707, AB1004295, KB-115387

Molecular Formula: C5H7N3O2Molecular Weight: 141.127980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: WROZCSTUPGWSLS-UHFFFAOYSA-N

• 5-Benzyloxyindole-3-acetic acid
IUPAC Name: 2-[5-(phenylmethoxy)-1H-indol-3-yl]acetic acid | CAS Registry Number: 4382-53-0
Synonyms: BOIAA, Oprea1_726357, B0626_SIGMA, CID96340, NSC68361, SBB003017, Indole-3-acetic acid, 5-(benzyloxy)-, 1H-Indole-3-acetic acid, 5-(phenylmethoxy)-, 2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid, B-1750

Molecular Formula: C17H15NO3Molecular Weight: 281.305900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GKIOPUYLJUOZHJ-UHFFFAOYSA-N

• 5-Bromo-2-furaldehyde
IUPAC Name: 5-bromofuran-2-carbaldehyde | CAS Registry Number: 1899-24-7
Synonyms: 2-Furaldehyde, 5-bromo-, 433985_ALDRICH, 2-Furancarboxaldehyde, 5-bromo-, ALBB-004687, ZINC00155120, ST5124598, InChI=1/C5H3BrO2/c6-5-2-1-4(3-7)8-5/h1-3

Molecular Formula: C5H3BrO2Molecular Weight: 174.980120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WJTFHWXMITZNHS-UHFFFAOYSA-N

• 5-Bromo-2-hydroxymethylpyridine
IUPAC Name: (5-bromopyridin-2-yl)methanol | CAS Registry Number: 88139-91-7
Synonyms: (5-Bromopyridin-2-yl)methanol, MO 07897

Molecular Formula: C6H6BrNOMolecular Weight: 188.021940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RUCZFWMEACWFER-UHFFFAOYSA-N

• 5-Bromoindole-3-acetic acid
IUPAC Name: 2-(5-bromo-1H-indol-3-yl)acetic acid | CAS Registry Number: 40432-84-6
Synonyms: 5-Bromo-3-indoleacetic acid, B68720_ALDRICH, NSC88145, CID96734, EINECS 254-917-8, (5-bromo-1H-indol-3-yl)acetic acid, ST5308168, B-8550

Molecular Formula: C10H8BrNO2Molecular Weight: 254.080020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WTFGHMZUJMRWBK-UHFFFAOYSA-N

• 5-Chloro-3-pyridinemethanol
IUPAC Name: (5-chloropyridin-3-yl)methanol | CAS Registry Number: 22620-34-4
Synonyms: (5-chloro-3-pyridinyl)methanol, (5-chloropyridin-3-yl)methanol, (5-chloro-3-pyridinyl) methanol, (5-Chloro-pyridin-3-yl)-methanol, AG-E-64759, PubChem12982, SureCN693319, 3-Pyridinemethanol,5-chloro-, Jsp004587, CTK4E9840, MolPort-003-987-837, ACT07609, ANW-52393, RW2857, ZINC21303204, AKOS006331870, AC-3568, QC-2253, RP01381, (5-CHLORO-PYRIDIN-3-YL)METHANOL

Molecular Formula: C6H6ClNOMolecular Weight: 143.570940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ALUCWNPKIRQBEF-UHFFFAOYSA-N

• 5-Fluoro-2-methoxypyridine
IUPAC Name: 5-fluoro-2-methoxypyridine | CAS Registry Number: 51173-04-7
Synonyms: 5-fluoro-2-methoxypyridine, 2-Methoxy-5-fluoropyridine, 5-Fluoro-2-methoxy-pyridine, AG-F-72855, PYRIDINE, 5-FLUORO-2-METHOXY-, ZINC02384083, PubChem11248, AC1MD3XK, ACMC-1B1GH, 3-Fluoro-6-methoxypyridine, SureCN1736269, 5-fluoro-2-methoxy pyridine, 5-Fluoro-2-methoxypyridine;, KSC497O4B, CTK3J7740, MolPort-001-772-562, 5-Fluoropyridin-2-yl methyl ether, ABBYPHARMA AP-14-5659, ACN-S004504, ACT01473

Molecular Formula: C6H6FNOMolecular Weight: 127.116343 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GYGABXVZIHADCT-UHFFFAOYSA-N

• 5-Hydroxymethyl Thiazole
IUPAC Name: 1,3-thiazol-5-ylmethanol | CAS Registry Number: 38585-74-9
Synonyms: 5-Thiazolemethanol, 5-Hydroxymethylthiazole, Ambap2763, ZINC02527712, CID2763216, T2166M500, TL8002812

Molecular Formula: C4H5NOSMolecular Weight: 115.153600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WKBQQWDVVHGWDB-UHFFFAOYSA-N

• 5-Methoxy-2-methyl-3-indoleacetic acid
IUPAC Name: 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid | CAS Registry Number: 2882-15-7
Synonyms: 5 MIAA, Oprea1_768754, 105171_ALDRICH, 5-Methoxy-methylindoleacetic acid, 5-Methoxy-2-methyl indole acetic acid, NSC97026, EINECS 220-734-7, NSC 97026, SBB003362, 5-Methoxy-2-methylindol-3-ylacetic acid, M-3534

Molecular Formula: C12H13NO3Molecular Weight: 219.236520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: TXWGINUZLBAKDF-UHFFFAOYSA-N

• 5-Oxazolidinone, 3-Benzoyl-4-Ethyl-4-Methyl-2-Phenyl-, (2S-Trans)- (9CI)
IUPAC Name: (2S,4R)-3-benzoyl-4-ethyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one | CAS Registry Number: 118995-18-9
Synonyms: (2S,4R)-3-BENZOYL-4-ETHYL-4-METHYL-2-PHENYL-OXAZOLIDIN-5-ONE, (2S,4R)-3-benzoyl-4-ethyl-4-methyl-2-phenyloxazolidin-5-one, 5-Oxazolidinone,3-benzoyl-4-ethyl-4-methyl-2-phenyl-, (2S-trans)- (9CI), CTK4B0996, ZINC12648293, AG-D-41550, AK-55308, A13788

Molecular Formula: C19H19NO3Molecular Weight: 309.359060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DYWWDZQRZYAPHQ-PKOBYXMFSA-N

• 6-chloro-2-methylpyridine
IUPAC Name: 2-chloro-6-methylpyridine | CAS Registry Number: 18368-63-3
Synonyms: 6-Chloro-2-picoline, 2-Chloro-6-methylpyridine, 2-Picoline, 6-chloro-, Ambap4544, 6-Chloro-2-methylpyridine, Pyridine, 2-chloro-6-methyl-, 116335_ALDRICH, EINECS 242-241-6, ALBB-006135, ZINC00388111, C234, LS-184968

Molecular Formula: C6H6ClNMolecular Weight: 127.571540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GXZDYRYYNXYPMQ-UHFFFAOYSA-N

• 6-Chloroindole
IUPAC Name: 6-chloro-1H-indole | CAS Registry Number: 17422-33-2
Synonyms: 6-Chloro-1H-indole, 1H-Indole, 6-chloro-, 246239_ALDRICH, NSC58083, ALBB-006051, CID87111, EINECS 241-449-4, SBB004059, ZINC00153934, C-4240

Molecular Formula: C8H6ClNMolecular Weight: 151.592940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YTYIMDRWPTUAHP-UHFFFAOYSA-N

• 6-Oxabicyclo[3.1.0]hexane, 3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, (1S,2R,3S,5R)-
IUPAC Name: (1S,2R,3S,5R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane | CAS Registry Number: 110567-22-1
Synonyms: (1S,2R,3S,5R)-3-(Benzyloxy)-2-((benzyloxy)methyl)-6-oxabicyclo[3.1.0]hexane, (1S,2R,3S,5R)-3-(Phenylmethoxy)-2-[(phenylmethoxy)methyl]-6-oxabicyclo[3.1.0]hexane, CTK8B4864, ANW-46553, RW2434, SBB068701, ZINC22065835, AKOS015918406, AC-5918, AK-29771, KB-00798, FT-0649366, R3-03, X8951, I14-8284, 6-Oxabicyclo[3,1,0]hexane-3-(phenylmetyoxy)-2-[(phenylmethoxy)methyl]-(1S,2R,3S,5R), [1S-(1|A,2|A,3|A,5|A)]-3-(Phenylmethoxy)-2-[(phenylmethoxy)methyl]-6-oxabicyclo[3.1.0]hexane

Molecular Formula: C20H22O3Molecular Weight: 310.386880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YPDRJNPIGFCETD-WCIQWLHISA-N


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