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ASDI Inc.

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Web: http://www.frontierssi.com/
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Address: 601 Interchange Blvd., Newark, Delaware 19711, USA
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Profile: ASDI Inc. is a contract research organization offering chemistry, sample preparation, and materials management services, as well as pharmaceutical, analytical & purification services. Our wide range of services and problem solving capabilities enable pharmaceutical, biotechnical & academic sectors to accelerate their drug discovery & research processes. We enable discovery for the global research community through innovation and increased efficiencies. We provide materials management services for the pharmaceutical and biotechnology industries around the world. We offer various chemical products including 2-propylpyrrolidine, n,n-dimethyl-4-(pyrrolidin-2-yl)aniline, 2-pyrrolidin-2-yl-pyridine, 2-thiophen-2-yl-pyrrolidine, 2-phenylpyrrolidine, 4-pyrrolidin-2-yl-pyridine, 3-pyrrolidin-2-yl-pyridine, 2-tert-butylpyrrolidine, 2-benzylpyrrolidine, 2-(4-methoxyphenyl)pyrrolidine, 2-(4-chlorophenyl)pyrrolidine, 2-(3-chlorophenyl)pyrrolidine and 2-(2-bromophenyl)pyrrolidine. We offer a variety of products to support early drug discovery, including high-throughput screening (HTS) libraries, fragment libraries, reagents/building blocks, and reactive intermediates. All libraries may be weighed, solubilized, and plated in accordance with client screening requirements. Our custom synthesizing capabilities are designed to provide synthetic support to laboratories and allow focusing on research. We are equipped with a variety of purification options including crystallization, distillation, and column chromatography. While column chromatography is often avoided for large-scale work, we are equipped to purify even kilograms of material using this technique.

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• 1-(1-benzofuran-2-yl)-2-bromoethan-1-one
IUPAC Name: 1-(1-benzofuran-2-yl)-2-bromoethanone | CAS Registry Number: 23489-36-3
Synonyms: ZINC00158630, CID2735451, ST5214207

Molecular Formula: C10H7BrO2Molecular Weight: 239.065380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NVRNCBWTEDOAQA-UHFFFAOYSA-N

• 3-aminophenylboronic Acid Monohydrate
IUPAC Name: (3-aminophenyl)boronic acid;hydrate | CAS Registry Number: 206658-89-1
Synonyms: 3-Aminophenylboronic acid monohydrate, SBB052525, 3-Aminobenzeneboronic acid monohydrate, PubChem4016, ACMC-1CFGG, SureCN295422, 3-Boronoaniline monohydrate, KSC489K7L, AGN-PC-0019EI, 287512_ALDRICH, CTK3I9575, M-aminophenylboronic acid hydrate, 3-Aminophenylboronic acid hydrate, MolPort-001-769-470, 3-Aminobenzeneboronic acid hydrate, (3-aminophenyl)boronic acid hydrate, ACN-S003614, ANW-24181, RW2398, AKOS005259063

Molecular Formula: C6H10BNO3Molecular Weight: 154.959500 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: XAEOVQODHLLNKX-UHFFFAOYSA-N

• 3-fluorobenzoylacetonitrile
IUPAC Name: 3-(3-fluorophenyl)-3-oxopropanenitrile | CAS Registry Number: 21667-61-8
Synonyms: 3-Fluorobenzoylacetonitrile, 3-(3-fluorophenyl)-3-oxopropanenitrile, SBB064536, 3-(3-Fluorophenyl)-3-oxo-propanenitrile, ZINC02579774, AC1MBZAM, PubChem12049, 3'-fluorobenzoylacetonitrile, AC1Q4MR5, SureCN1849226, CTK4E7454, MolPort-000-155-470, AM849, AKOS000181039, AG-E-58732, 3-oxo-3-(3-fluorophenyl)propanenitrile, Benzenepropanenitrile, 3-fluoro-|A-oxo-, AK111047, Benzenepropanenitrile, 3-fluoro-beta-oxo-, KB-31950

Molecular Formula: C9H6FNOMolecular Weight: 163.148443 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UNGFCWRGMBVFAS-UHFFFAOYSA-N

• 1,3 - Di-O-Tolyl Guanidine
IUPAC Name: 1,2-bis(2-methylphenyl)guanidine | CAS Registry Number: 97-39-2
Synonyms: Vulkacite DOTG, Vulkacit DOTG, Eveite DOTG, Vulkacit dotg/C, Nocceler DT, Sanceler DT, DOTG accelerator, Di-o-tolylguanidine, Soxinol DT, Akrochem DOTG, Vulcafor DOTG, DOTG, Diorthotolylguanidine, 1,3-Ditolylguanidine, 1,3-Di-o-tolyguanidine, 1,3-Di-o-tolylguanidine, Guanidine, 1,3-di-o-tolyl-, N,N'-Di-o-tolylguanidine, 1,3-Bis(o-tolyl)guanidine, Tocris-0841

Molecular Formula: C15H17N3Molecular Weight: 239.315580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: OPNUROKCUBTKLF-UHFFFAOYSA-N

• ( R)-(-)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acid
IUPAC Name: 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid | CAS Registry Number: 113278-68-5
Synonyms: SBB053468, (R)-(-)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acid, AC1Q2CRK, SureCN473047, [(4R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid, 460028_ALDRICH, CTK0H2930, MolPort-001-791-004, AKOS015893968, AG-D-32992, AK-55396, FT-0667497, I04-8903, (R)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid, 1,3-Dioxolane-4-aceticacid, 2,2-dimethyl-5-oxo-, (4R)-, 2-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid, 1,3-Dioxolane-4-aceticacid, 2,2-dimethyl-5-oxo-, (R)-;2-((R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid;2-((R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid;[(R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid

Molecular Formula: C7H10O5Molecular Weight: 174.151300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: IDQOCLIWDMZKBZ-SCSAIBSYSA-N

• 1-Benzo[b]thiophen-3-yl-2-bromoethan-1-one
IUPAC Name: 1-(1-benzothiophen-3-yl)-2-bromoethanone | CAS Registry Number: 26167-45-3
Synonyms: ZINC00158710, CID2776341, 2Y-0801

Molecular Formula: C10H7BrOSMolecular Weight: 255.130980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CKHWNGWAHFLCTJ-UHFFFAOYSA-N

• 2,5-Dimethoxybenzylamine
IUPAC Name: (2,5-dimethoxyphenyl)methanamine | CAS Registry Number: 3275-95-4
Synonyms: Zilain, 2,5-Dimethoxybenzenemethanamine, Oprea1_013152, Oprea1_829210, CBDivE_001902, 540315_ALDRICH, Benzenemethanamine, 2,5-dimethoxy-, STOCK1S-07987, BENZYLAMINE, 2,5-DIMETHOXY-, ALBB-005346, CID18652, 1-(2,5-dimethoxyphenyl)methanamine, BRN 2362836, LS-43332

Molecular Formula: C9H13NO2Molecular Weight: 167.205020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UWMCHDDHXMFKMA-UHFFFAOYSA-N

• 1,3-Benzothiazol-2-ylmethylamine hydrochloride
IUPAC Name: 1,3-benzothiazol-2-ylmethanamine;hydrochloride | CAS Registry Number: 29198-41-2
Synonyms: 1,3-benzothiazol-2-ylmethylamine hydrochloride, 1,3-benzothiazol-2-ylmethanamine hydrochloride, 2-(Aminomethyl)-1,3-benzothiazole hydrochloride, Benzo[d]thiazol-2-ylmethanamine hydrochloride, 42182-65-0, 1,3-Benzothiazol-2-Yl-Methanamine Hydrochloride, AC1MCQU4, SureCN289191, BESTIPHARMA 508-458, CTK7E6906, MolPort-000-142-317, SBB092692, AKOS015848739, benzothiazol-2-ylmethylamine, chloride, AB15872, AG-A-10333, AG-E-94925, CC06013, MCULE-9377613015, RP04281

Molecular Formula: C8H9ClN2SMolecular Weight: 200.688460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WCZDQDCFSDCIIC-UHFFFAOYSA-N

• (5-Methyl-1-phenyl-1H-pyrazol-4-yl)methanol
IUPAC Name: (5-methyl-1-phenylpyrazol-4-yl)methanol | CAS Registry Number: 153863-35-5
Synonyms: (5-Methyl-1-Phenyl-1H-Pyrazol-4-Yl)Methanol, (5-methyl-1-phenylpyrazol-4-yl)methanol, 1H-Pyrazole-4-methanol,5-methyl-1-phenyl-, ZINC00158818, AC1MCQZ2, AC1Q2FCG, ACMC-1CGP6, SureCN1568047, CTK4C8014, MolPort-000-142-534, SBB090804, AKOS006227827, AG-E-01643, CC15509, RP03596, SDCCGMLS-0065987.P001, KB-02172, FT-0604820, (5-methyl-1-phenylpyrazol-4-yl)methan-1-ol, I14-35271

Molecular Formula: C11H12N2OMolecular Weight: 188.225780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JTNWKZVHKLAHTN-UHFFFAOYSA-N

• 2-Methoxybenzyl alcohol
IUPAC Name: (2-methoxyphenyl)methanol | CAS Registry Number: 612-16-8
Synonyms: Anisyl alcohol, o-Anisyl alcohol, o-Methoxybenzyl alcohol, 2-Methoxybenzenemethanol, Benzenemethanol, 2-methoxy-, (2-Methoxyphenyl)methanol, Benzyl alcohol, ar-methoxy-, Benzenemethanol, ar-methoxy-, M10808_ALDRICH, Anisyl alcohol (o-,m-,p-), 64820_FLUKA, NSC66558, EINECS 210-296-5, EINECS 215-561-9, NSC 66558, ZINC00391172, AI3-05521, ST5214712, InChI=1/C8H10O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H, 1331-81-3

Molecular Formula: C8H10O2Molecular Weight: 138.163800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WYLYBQSHRJMURN-UHFFFAOYSA-N

• 1,2-Propanediamine, 2-methyl-
IUPAC Name: 2-methylpropane-1,2-diamine | CAS Registry Number: 811-93-8
Synonyms: 2-Methylpropylenediamine, 2-Methyl-1,2-propanediamine, 1,2-Diamino-2-methylpropane, Methyl-2 propanediamine-1,2, EINECS 212-374-4, 1,2-PROPANEDIAMINE, 2-METHYL-, NSC 17717, NSC17717, BRN 0773658, SBB008491, LS-119903, 4-04-00-01306 (Beilstein Handbook Reference)

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

InChIKey: OPCJOXGBLDJWRM-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydro-2,2,4,7-Tetramethylquinoline
IUPAC Name: 2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline | CAS Registry Number: 59388-58-8
Synonyms: 471062_ALDRICH, EINECS 261-732-6, CID101035, ZINC02569935, LT03478917, 1,2,3,4-Tetrahydro-2,2,4,7-tetramethylquinoline, Quinoline, 1,2,3,4-tetrahydro-2,2,4,7-tetramethyl-

Molecular Formula: C13H19NMolecular Weight: 189.296660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NRWNXIXJZMSDAU-UHFFFAOYSA-N

• (5-Methyl-3-Phenylisoxazol-4-Yl)methanol
IUPAC Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol | CAS Registry Number: 18718-79-1
Synonyms: (5-METHYL-3-PHENYLISOXAZOL-4-YL)METHANOL, (5-methyl-3-phenyl-4-isoxazolyl)methanol, (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol, AG-E-36242, ZINC00158498, PubChem8424, AC1MCQR3, SureCN107436, AC1Q2FC5, CTK4D9438, MolPort-000-142-141, ACT07578, ANW-58495, SBB090948, AKOS005255134, AG-A-05918, CC00509, RP03652, SDCCGMLS-0065904.P001, 4-Isoxazolemethanol,5-methyl-3-phenyl-

Molecular Formula: C11H11NO2Molecular Weight: 189.210540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GHGWDZCXZRWQBG-UHFFFAOYSA-N

• 1-(2,4-Dichlorophenoxy)propan-1-Ol
IUPAC Name: 2-(2,4-dichlorophenoxy)propan-1-ol | CAS Registry Number: 98919-13-2
Synonyms: 2-(2,4-dichlorophenoxy)propan-1-ol, SBB055424, NSC517418, AC1L6XEW, AC1Q2B3P, SureCN9642579, CTK8A1833, MolPort-001-767-432, AG-B-85090, NSC-517418

Molecular Formula: C9H10Cl2O2Molecular Weight: 221.080500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LAZNUAGYLOVVPE-UHFFFAOYSA-N

• (2-Methyl-5-Phenyl-3-Furyl)methanol
IUPAC Name: (2-methyl-5-phenylfuran-3-yl)methanol | CAS Registry Number: 111787-91-8
Synonyms: (2-methyl-5-phenylfuran-3-yl)methanol, (2-METHYL-5-PHENYL-3-FURYL)METHANOL, 3-Furanmethanol,2-methyl-5-phenyl-, ZINC00158813, AC1MCQYV, ACMC-20dob6, AC1Q2FC9, SureCN3069277, CTK4A7520, SBB090781, (2-Methyl-5-phenylfur-3-yl)methanol, AKOS006228046, AG-D-30455, CC14909, RP03589, SDCCGMLS-0065985.P001, (2-methyl-5-phenyl-3-furyl)methan-1-ol, 3-(Hydroxymethyl)-2-methyl-5-phenylfuran, KB-206223, FT-0604639

Molecular Formula: C12H12O2Molecular Weight: 188.222480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YDHRCRWVQWYBKB-UHFFFAOYSA-N

• (7-Bromo-2,3-Dihydro-1,4-Benzodioxin-6-Yl)(4-Methylphenyl)methanone
IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-methylphenyl)methanone | CAS Registry Number: 175136-42-2
Synonyms: (7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)methanone, ZINC00042260, AC1LE0MC, AC1Q2JNL, Maybridge1_002282, Oprea1_029360, CTK4D5274, HMS547P16, MolPort-001-004-243, STK259024, AKOS003592523, AG-E-24876, CL 2680, MCULE-1007177208, KB-146052, FT-0604845, I14-35324, 6-bromo-7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine, (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-methylphenyl)methanone, Methanone,(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)-

Molecular Formula: C16H13BrO3Molecular Weight: 333.176620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZZAIOXCUIJOSQO-UHFFFAOYSA-N

• 2-(4-Bromo-2-Fluorophenyl)-1,3-Dioxolane
IUPAC Name: 2-(4-bromo-2-fluorophenyl)-1,3-dioxolane | CAS Registry Number: 248270-23-7
Synonyms: 1-BROMO-4-(1,3-DIOXOLAN-2-YL)-3-FLUOROBENZENE, AG-E-74563, AC1Q4KZQ, SureCN509469, CTK4F4467, MolPort-001-791-331, AKOS015935047, RP28764, AK-42677, KB-218573

Molecular Formula: C9H8BrFO2Molecular Weight: 247.061023 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QBJYRHCYSHXBAY-UHFFFAOYSA-N

• (4-Fluorophenylthio)Acetic Acid
IUPAC Name: 2-(4-fluorophenyl)sulfanylacetate | CAS Registry Number: 332-51-4
Synonyms: ZINC00156142, CID4115535

Molecular Formula: C8H6FO2S-Molecular Weight: 185.195443 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HQEROVXUKINLPI-UHFFFAOYSA-M

• (R)-(+)-1-(2-Naphthyl)Ethylamine
IUPAC Name: (1R)-1-naphthalen-2-ylethanamine | CAS Registry Number: 3906-16-9
Synonyms: (R)-1-(2-Naphthyl)ethylamine, (R)-(+)-1-(2-Naphthyl)ethylamine, AG-F-37897, (1R)-1-(Naphthalen-2-Yl)Ethan-1-Amine, (R)-2-(1-Aminoethyl)naphthalene, AC1LXCBT, SureCN307143, KSC490G1R, 70940_ALDRICH, AC1Q299D, AC1Q299L, 70940_FLUKA, CTK3J0318, MolPort-001-792-727, (1R)-1-naphthalen-2-ylethanamine, (R)-()-1-(2-Naphthyl)ethylamine, (R)-1-(Naphthalen-2-yl)ethanamine, ANW-29009, AKOS010366206, AK-89610

Molecular Formula: C12H13NMolecular Weight: 171.238320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KHSYYLCXQKCYQX-SECBINFHSA-N

• 3-Amino-1,2,4-Triazine
IUPAC Name: 1,2,4-triazin-3-amine | CAS Registry Number: 1120-99-6
Synonyms: 3-Amino-as-triazine, as-Triazine, 3-amino-, 3-Amino-1,2,4-triazine, 1,2,4-Triazin-3-ylamine, 1,2,4-Triazin-3-amine, 100625_ALDRICH, STOCK1S-10919, EINECS 214-324-7, ZINC01737540, CID70715, AI3-61002, LS-155018, AO-040/25080001, InChI=1/C3H4N4/c4-3-5-1-2-6-7-3/h1-2H,(H2,4,5,7

Molecular Formula: C3H4N4Molecular Weight: 96.090660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MJIWQHRXSLOUJN-UHFFFAOYSA-N

• 1,3-Dibromo-2-Propanol
IUPAC Name: 1,3-dibromopropan-2-ol | CAS Registry Number: 96-21-9
Synonyms: 1,3-Dibromohydrin, alpha-Dibromohydrin, .alpha.-Dibromohydrin, 1,3-Dibromo-2-propanol, 2-Propanol, 1,3-dibromo-, sGQDLLRxbRwUP@, 1,3-Dibromopropan-2-ol, Glycerol 1,3-dibromohydrin, 2-Hydroxy-1,3-dibromopropane, WLN: E1YQ1E, Glycerol alpha,gamma-dibromohydrin, NSC 636, .alpha.,.gamma.-Dibromohydrin, 372404_ALDRICH, Glycerol alpha,gamma-dibromohydrine, Glycerol-alpha,gamma-dibromohydrine, NSC636, 1,3-DIBROMO-2-HYDROXYPROPANE, EINECS 202-489-8, CID7287

Molecular Formula: C3H6Br2OMolecular Weight: 217.887140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KIHQZLPHVZKELA-UHFFFAOYSA-N

• 1-(2-Bromoethoxy)-2,4-Dichlorobenzene
IUPAC Name: 1-(2-bromoethoxy)-2,4-dichlorobenzene | CAS Registry Number: 6954-77-4
Synonyms: Bionet2_000793, NCIOpen2_003313, 1-(2-Bromoethoxy)-2,4-dichlorobenzene, NSC67745, CID138881, ZINC01694634, FR-0692, T0520-2885

Molecular Formula: C8H7BrCl2OMolecular Weight: 269.950580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OEYZGSRLAGSENP-UHFFFAOYSA-N

• 2-Bromobenzyl Alcohol
IUPAC Name: (2-bromophenyl)methanol | CAS Registry Number: 18982-54-2
Synonyms: 2-Bromobenzyl alcohol, (2-Bromophenyl)methanol, o-Bromo-benzyl alcohol, Benzenemethanol, 2-bromo-, Benzyl alcohol, o-bromo-, o-BROMOPENZYL ALCOHOL, 184276_ALDRICH, AIDS017545, AIDS-017545, EINECS 242-719-4, ZINC01996019, ST5406681, InChI=1/C7H7BrO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H

Molecular Formula: C7H7BrOMolecular Weight: 187.033880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IOWGHQGLUMEZKG-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

• 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

• (R)-(-)-2-Amino-1-Pentanol
IUPAC Name: (2R)-2-aminopentan-1-ol | CAS Registry Number: 80696-30-6
Synonyms: D-Norvalinol, (R)-2-Aminopentan-1-ol, (R)-(-)-2-Amino-1-pentanol, (2R)-2-aminopentan-1-ol, AC1NT5JQ, AC1Q2SMV, 534579_ALDRICH, CTK5E8020, MolPort-001-795-057, 1-Pentanol, 2-amino-,(2R)-, ANW-71749, AKOS006338473, AG-H-24542, AK-76471, KB-50412, InChI=1/C5H13NO/c1-2-3-5(6)4-7/h5,7H,2-4,6H2,1H

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

InChIKey: ULAXUFGARZZKTK-RXMQYKEDSA-N

• 4-Methoxy-3-Methylbenzeneboronic Acid
IUPAC Name: (4-methoxy-3-methylphenyl)boronic acid | CAS Registry Number: 175883-62-2
Synonyms: 4-Methoxy-3-methylphenylboronic acid, 595500_ALDRICH, MolPort-000-931-584, CID2773487, (4-methoxy-3-methyl-phenyl)boronic Acid, BBV-15967422, M122, TL80073577, I01-3301

Molecular Formula: C8H11BO3Molecular Weight: 165.982140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PXVDQGVAZBTFIB-UHFFFAOYSA-N

• 2,4-Diamino-6-Hydroxy Pyrimidine
IUPAC Name: 2,6-diamino-1H-pyrimidin-4-one | CAS Registry Number: 56-06-4
Synonyms: 2,6-Diamino-4-pyrimidinol, 2,4-Diamino-6-hydroxypyrimidine, 2,4-Diaminohypoxanthine, Tocris-0476, 2,6-Diamino-4-pyrimidinone, 2,6-Diamino-4-hydroxypyrimidine, 4(1H)-Pyrimidinone, 2,6-diamino-, Lopac-D1920-6, 2,6-diaminopyrimidin-4-ol, Lopac0_000419, C4H6N4O, D19206_ALDRICH, MLS002153230, NSC9302, 2,4-DAHP, 2,6-Diamino-1H-pyrimidin-4-one, DHAP-2,4, NSC 9302, 33050_FLUKA, EINECS 200-254-4

Molecular Formula: C4H6N4OMolecular Weight: 126.116640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: SWELIMKTDYHAOY-UHFFFAOYSA-N

• 2-Phenyl Ethyl Isocyanate
IUPAC Name: 2-isocyanatoethylbenzene | CAS Registry Number: 1943-82-4
Synonyms: Phenethyl isocyanate, Phenylethyl isocyanate, 2-Phenylethylisocyanate, (2-Isocyanatoethyl)benzene, 456179_ALDRICH, ZINC02384722, TL806451

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HACRKYQRZABURO-UHFFFAOYSA-N

• 2-Methoxy5-fluorophenylboronic Acid
IUPAC Name: (5-fluoro-2-methoxyphenyl)boronic acid | CAS Registry Number: 179897-94-0
Synonyms: Ambap2599, 483540_ALDRICH, 5-Fluoro-2-methoxyphenylboronic acid, ALBB-006118, 5-Fluoro-2-methoxybenzeneboronic acid, F3280G1, (5-fluoro-2-methoxyphenyl)boronic acid, TL8001436

Molecular Formula: C7H8BFO3Molecular Weight: 169.946023 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: CCQKIRUMTHHPSX-UHFFFAOYSA-N

• 3,4-Dichlorophenylboronic Acid
IUPAC Name: (3,4-dichlorophenyl)boronic acid | CAS Registry Number: 151169-75-4
Synonyms: 3,4-Dichlorophenylboronic acid, 471917_ALDRICH, BM176, ST5405968, TL8001110

Molecular Formula: C6H5BCl2O2Molecular Weight: 190.819700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JKIGHOARKAIPJI-UHFFFAOYSA-N

• 4-Methylphenylboronic Acid
IUPAC Name: (4-methylphenyl)boronic acid | CAS Registry Number: 5720-05-8
Synonyms: p-Tolueneboronic acid, p-Tolylboronic acid, p-Methylbenzeneboronic acid, 4-Methylphenylboric acid, Boronic acid, p-tolyl-, p-Methylborophenylic acid, 4-Methylphenylboronic acid, Boronic acid, (4-methylphenyl)-, (4-methylphenyl)boronic acid, WLN: QBQR D1, 4-Methylbenzeneboronic acid, NCIOpen2_000259, 393622_ALDRICH, 90010_FLUKA, NSC 62870, BM033, ALBB-006111, NSC62870, BRN 2935970, NCGC00092015-01

Molecular Formula: C7H9BO2Molecular Weight: 135.956160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BIWQNIMLAISTBV-UHFFFAOYSA-N

• 4-Hydroxyphenylboronic Acid
IUPAC Name: (4-hydroxyphenyl)boronic acid | CAS Registry Number: 71597-85-8
Synonyms: 4-Hydroxyphenylboronic acid, 523976_ALDRICH, BM604, (4-HYDROXYPHENYL)BORONIC ACID, TL8005019

Molecular Formula: C6H7BO3Molecular Weight: 137.928980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: COIQUVGFTILYGA-UHFFFAOYSA-N

• (R)-N-Benzyl-3-AminoPyrrolidine
IUPAC Name: (3R)-1-(phenylmethyl)pyrrolidin-3-amine | CAS Registry Number: 114715-39-8
Synonyms: 1-Benzyl-3-aminopyrrolidine, 536601_ALDRICH, (R)-1-benzyl-3-Aminopyrrolidine, C-3151R, SL-02159, TL8000416, (R)-(−)-1-Benzyl-3-aminopyrrolidine

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

InChIKey: HBVNLKQGRZPGRP-LLVKDONJSA-N

• 1,2,3,4-Tetrahydroquinoline
IUPAC Name: 1,2,3,4-tetrahydroquinoline | CAS Registry Number: 635-46-1
Synonyms: Kusol, Quinoline, 1,2,3,4-tetrahydro-, T15504_ALDRICH, W516007_ALDRICH, 87350_FLUKA, CID69460, NSC15311, EINECS 211-237-6, NSC 15311, AI3-10034, ST5213755, TL8004434, InChI=1/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H, 165057-15-8, 86433-95-6

Molecular Formula: C9H11NMolecular Weight: 133.190340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LBUJPTNKIBCYBY-UHFFFAOYSA-N

• 1-NaphthaleneMethylamine
IUPAC Name: naphthalen-1-ylmethanamine | CAS Registry Number: 118-31-0
Synonyms: 1-Naphthalenemethylamine, 1-Naphthylmethanamine, 1-Naphthylmethylamine, Naphthalene-1-methylamine, 1-NAPHTHALENEMETHANAMINE, 1-(Aminomethyl)naphthalene, 127035_ALDRICH, EINECS 204-244-0

Molecular Formula: C11H11NMolecular Weight: 157.211740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NVSYANRBXPURRQ-UHFFFAOYSA-N

• 2-Chloro-4-(hydroxymethyl)pyridine
IUPAC Name: (2-chloropyridin-4-yl)methanol | CAS Registry Number: 100704-10-7
Synonyms: MLS000582507, (2-chloropyridin-4-yl)methanol, ZINC03883974, CID7062237, SMR000206493, 4Y-0721

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

InChIKey: UDDVPFLXGOBESH-UHFFFAOYSA-N

• 3,5-Dichlorobenzyl chloride
IUPAC Name: 1,3-dichloro-5-(chloromethyl)benzene | CAS Registry Number: 3290-06-0
Synonyms: 1,3-Dichloro-5-(chloromethyl)benzene, SPB 00444, Benzene, 1,3-dichloro-5-(chloromethyl)-

Molecular Formula: C7H5Cl3Molecular Weight: 195.473600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZFLRKAMKGYNFPH-UHFFFAOYSA-N

• (S)-1-(2-Bromophenyl)ethanol
IUPAC Name: (1S)-1-(2-bromophenyl)ethanol | CAS Registry Number: 114446-55-8
Synonyms: 327247_ALDRICH, ZINC00389510, (S)-(−)-2-Bromo-alpha-methylbenzyl alcohol

Molecular Formula: C8H9BrOMolecular Weight: 201.060460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DZLZSFZSPIUINR-LURJTMIESA-N

• 1,2-dichloro-3-iodobenzene
IUPAC Name: 1,2-dichloro-3-iodobenzene | CAS Registry Number: 2401-21-0
Synonyms: 2,3-Dichloroiodobenzene, 1,2-Dichloro-3-iodobenzene, EINECS 219-276-0, InChI=1/C6H3Cl2I/c7-4-2-1-3-5(9)6(4)8/h1-3

Molecular Formula: C6H3Cl2IMolecular Weight: 272.898490 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VGJKBWPZBVBXGI-UHFFFAOYSA-N

• (4-Benzylmorpholin-2-yl)methanol
IUPAC Name: [(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methanol | CAS Registry Number: 40987-24-4
Synonyms: ZINC00158726

Molecular Formula: C12H18NO2+Molecular Weight: 208.276820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WQNIKIMRIXHNFF-LBPRGKRZSA-O

• 2-Methyl-3-hydroxymethyl pyridine
IUPAC Name: (2-methylpyridin-3-yl)methanol | CAS Registry Number: 56826-61-0
Synonyms: 535109_ALDRICH, NSC187783, (2-Methyl-pyridin-3-yl)-methanol, CID302564

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PRMLMDSFLIHHSO-UHFFFAOYSA-N

• 1-(2-Furylmethyl)-5-oxopyrrolidine-3-carboxylic acid
IUPAC Name: 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid | CAS Registry Number: 175136-93-3
Synonyms: Maybridge1_003035, Oprea1_563525, ALBB-004390, CID2777280, SDCCGMLS-0066101.P001, ST5213907, 1-(2-furylmethyl)-5-oxopyrrolidine-3-carboxylic acid

Molecular Formula: C10H11NO4Molecular Weight: 209.198640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NFWHHUCJMAPGHE-UHFFFAOYSA-N

• 2,5-Dichlorobenzylamine
IUPAC Name: (2,5-dichlorophenyl)methanamine | CAS Registry Number: 10541-69-2
Synonyms: Benzylamine der, (2,5-Dichlorophenyl)methanamine, 648892_ALDRICH, Benzenemethanamine, 2,5-dichloro-, AIDS011103, AIDS-011103, 42365-57-1 (HYDROCHLORIDE), ST5408121

Molecular Formula: C7H7Cl2NMolecular Weight: 176.043180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: AKGJLIXNRPNPCH-UHFFFAOYSA-N

• 3-Bromophenyl methanol
IUPAC Name: (3-bromophenyl)methanol | CAS Registry Number: 15852-73-0
Synonyms: 3-Bromobenzyl alcohol, m-Bromobenzyl alcohol, (3-Bromophenyl)methanol, 187895_ALDRICH, EINECS 239-975-4, ZINC00406923, ST5406651, InChI=1/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H

Molecular Formula: C7H7BrOMolecular Weight: 187.033880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FSWNRRSWFBXQCL-UHFFFAOYSA-N

• (1S,2S)-(+)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol
IUPAC Name: 2-amino-1-(4-methylsulfanylphenyl)propane-1,3-diol | CAS Registry Number: 16854-32-3
Synonyms: EINECS 240-878-4, EINECS 245-460-5, ST5319595, (R(R*,R*))-2-Amino-1-(p-(methylthio)phenyl)propane-1,3-diol, (S(R*,R*))-2-Amino-1-(p-(methylthio)phenyl)propane-1,3-diol, 23150-35-8

Molecular Formula: C10H15NO2SMolecular Weight: 213.296600 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: IULJJGJXIGQINK-UHFFFAOYSA-N

• (R)-(-)-1-Amino-2-propanol
IUPAC Name: (2R)-1-aminopropan-2-ol | CAS Registry Number: 2799-16-8
Synonyms: 1-Aminopropan-2-ol, (R)-1-aminopropan-2-ol, (R)-1-Amino-2-propanol, 2-Propanol, 1-amino-, 1-AMINO-2-PROPANOL, (2R)-1-aminopropan-2-ol, 238856_ALDRICH, (−)-Isopropanolamine, 09281_FLUKA, CHEBI:15675, G-1220R, SL-00591, (R)-(−)-1-Amino-2-propanol, C03194, InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H, 78-96-6

Molecular Formula: C3H9NOMolecular Weight: 75.109660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HXKKHQJGJAFBHI-GSVOUGTGSA-N

• 1-(2-Methoxyphenyl)piperazine
IUPAC Name: 1-(2-methoxyphenyl)piperazine | CAS Registry Number: 35386-24-4
Synonyms: Spectrum_000433, SpecPlus_000789, Lopac-S-008, Spectrum2_001818, Spectrum3_001032, Spectrum4_001166, Spectrum5_001749, 1-(o-Methoxyphenyl)piperazine, Lopac0_001122, Oprea1_660972, Oprea1_668117, 1-(2-Methoxyphenyl)-piperazine, BSPBio_002843, KBioGR_001771, KBioSS_000913, M22601_ALDRICH, DivK1c_006885, SPBio_001835, 65225_FLUKA, KBio1_001829

Molecular Formula: C11H16N2OMolecular Weight: 192.257540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VNZLQLYBRIOLFZ-UHFFFAOYSA-N

• (R)-(+)-1-(1-Naphthyl)ethylamine
IUPAC Name: 1-naphthalen-1-ylethanamine | CAS Registry Number: 3886-70-2
Synonyms: 1-(1-Naphthyl)ethylamine, 1-(1-Naphthyl)ethanamine, ()-1-(1-Naphthyl)ethylamine, 294926_ALDRICH, 70715_FLUKA, (+/-)1-(1-Naphthyl)ethylamine, ALBB-002137, NSC75881, NSC75882, R-(+)-1-(1-Naphthyl)ethylamine, EINECS 223-425-5, NSC 75881, NSC180601, (S)-(-)-.alpha.-(1-Naphthyl)ethylamine, GL-0344, NSC 180601, 1-Naphthalenemethanamine, alpha-methyl-, ()-alpha-Methyl-1-naphthalenemethylamine, (R)-alpha-Methyl-1-naphthalenemethanamine, AI3-26857

Molecular Formula: C12H13NMolecular Weight: 171.238320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RTCUCQWIICFPOD-UHFFFAOYSA-N

• 3-Fluorocinnamic acid
IUPAC Name: (E)-3-(3-fluorophenyl)prop-2-enoic acid | CAS Registry Number: 458-46-8
Synonyms: m-Fluorocinnamic acid, (E)-m-Fluorocinnamic acid, trans-3-Fluorocinnamic acid, 290483_ALDRICH, JRD-0525, NSC73988, EINECS 207-281-0, EINECS 243-902-1, SBB006621, trans-3-(3-Fluorophenyl)propenoic acid, TL8003182, (2E)-3-(3-Fluorophenyl)-2-propenoic acid, 2-Propenoic acid, 3-(3-fluorophenyl)-, (E)-, 20595-30-6

Molecular Formula: C9H7FO2Molecular Weight: 166.149083 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RTSIUKMGSDOSTI-SNAWJCMRSA-N


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