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ASDI Inc.

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Web: http://www.frontierssi.com/
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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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• (R)-(+)-Citronellal
IUPAC Name: (3R)-3,7-dimethyloct-6-enal | CAS Registry Number: 2385-77-5
Synonyms: Rhodinal, (+)-Citronellal, (3R)-(+)-citronellal, (R)-3,7-Dimethyloct-6-enal, CHEBI:299, (3R)-3,7-Dimethyl-6-octenal, 343641_ALDRICH, (R)-3,7-dimethyl-6-octenal, (3R)-3,7-dimethyloct-6-enal, MolPort-001-793-058, CID75427, EINECS 219-194-5, c0369, ZINC01531600, (R)-(+)-3,7-Dimethyl-6-octenal, LMPR0102010007, 6-Octenal, 3,7-dimethyl-, (3R)-, 6-Octenal, 3,7-dimethyl-, (theta)-, C09848, 106-23-0

Molecular Formula: C10H18OMolecular Weight: 154.249320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NEHNMFOYXAPHSD-SNVBAGLBSA-N

• 4-Biphenylboronic Acid
IUPAC Name: (4-phenylphenyl)boronic acid | CAS Registry Number: 5122-94-1
Synonyms: 4-Biphenylboronic acid, Phenylboronic Acid, 11, biphenyl-4-ylboronic acid, 483451_ALDRICH, BM292, 1,1'-Biphenyl-4-yl-boronic acid, (1,1'-Biphenyl)-4-ylboronic acid, Boronic acid, (1,1'-biphenyl)-4-yl-, boronic acid, [1,1'-biphenyl]-4-yl-, TL806285, ST5407392, InChI=1/C12H11BO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14-15

Molecular Formula: C12H11BO2Molecular Weight: 198.025540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XPEIJWZLPWNNOK-UHFFFAOYSA-N

• 3-Iodobenzylae
IUPAC Name: (3-iodophenyl)methanamine | CAS Registry Number: 696-40-2
Synonyms: Benzylamine der, 3-Iodobenzylamine, meta-Iodobenzylamine, 3-Iodobenzenemethanamine, Benzenemethanamine, 3-iodo-, 100064_ALDRICH, AIDS011093, AIDS-011093, NSC96895, NSC 96895, 3718-88-5 (HYDROCHLORIDE), InChI=1/C7H8IN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H

Molecular Formula: C7H8INMolecular Weight: 233.049590 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LQLOGZQVKUNBRX-UHFFFAOYSA-N

• 4-Tert-Butylphenylboronic Acid
IUPAC Name: (4-tert-butylphenyl)boronic acid | CAS Registry Number: 123324-71-0
Synonyms: 4-tert-Butylphenylboronic acid, 480053_ALDRICH, BM260, ST5405957, TL8000625

Molecular Formula: C10H15BO2Molecular Weight: 178.035900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: MNJYZNVROSZZQC-UHFFFAOYSA-N

• 4-Methoxy-2-methylphebylboronic acid
IUPAC Name: (4-methoxy-2-methylphenyl)boronic acid | CAS Registry Number: 208399-66-0
Synonyms: 4-Methoxy-2-methylphenylboronic acid, 639370_ALDRICH, M4226G1, ST5408507, TL8001725

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

InChIKey: AMSQNQJCBXQYEX-UHFFFAOYSA-N

• 1,2,3,4-tetrahydro-2-naphthalenamine
IUPAC Name: 1,2,3,4-tetrahydronaphthalen-1-amine | CAS Registry Number: 2954-50-9
Synonyms: 2-Aminotetralin, 1-Aminotetralin, Aminotetralin [Czech], Tetrahydro-beta-naphthylamine, 247820_ALDRICH, EINECS 220-973-7, 1,2,3,4-Tetrahydro-1-naphthylamine, 1,2,3,4-Tetrahydro-2-naphthylamine, beta-1,2,3,4-Tetrahydronaphthylamine, NSC30349, BRN 1102357, EINECS 218-712-7, NSC 30349, 1,2,3,4-Tetrahydro-1-naphthalenamine, LS-95751, 1-Naphthalenamine, 1,2,3,4-tetrahydro-, 2-Amino-1,2,3,4-tetrahydronaftalen [Czech], 2-NAPHTHYLAMINE, 1,2,3,4-TETRAHYDRO-, ST5213776, 4-12-00-02943 (Beilstein Handbook Reference)

Molecular Formula: C10H13NMolecular Weight: 147.216920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JRZGPXSSNPTNMA-UHFFFAOYSA-N

• 2-Amino-1,3,4-thiadiazole
IUPAC Name: 1,3,4-thiadiazol-2-amine | CAS Registry Number: 4005-51-0
Synonyms: Aminothiadiazole, Aminothiadazole, 2-Aminothiadiazole, ATDA, 1,3,4-Thiadiazol-2-amine, ADTA, A-TDA, 1,3,4-Thiadiazole, 2-amino, NCIMech_000679, NSC4728, C2H3N3S, FDA 0084, NSC 4728, TF 128, 1,3,4-Thiadiazole-2-ylamine, 258881_ALDRICH, 2-Amino-1-thia-3,4-diazole, NSC-4728, EINECS 223-657-7, 1,3,4-THIADIAZOLE, 2-AMINO-

Molecular Formula: C2H3N3SMolecular Weight: 101.130320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QUKGLNCXGVWCJX-UHFFFAOYSA-N

• 3,4,5-Trimethoxybenzylamine
IUPAC Name: (3,4,5-trimethoxyphenyl)methanamine | CAS Registry Number: 18638-99-8
Synonyms: NCIOpen2_001669, 338931_ALDRICH, NSC101336, CID87736, EINECS 242-468-0, BBV-156958, Benzenemethanamine, 3,4,5-trimethoxy-, InChI=1/C10H15NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6,11H2,1-3H

Molecular Formula: C10H15NO3Molecular Weight: 197.231000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YUPUSBMJCFBHAP-UHFFFAOYSA-N

• (S)-(+)-2-Amino-1-Pentanol
IUPAC Name: (2S)-2-aminopentan-1-ol | CAS Registry Number: 22724-81-8
Synonyms: L-Norvalinol, (S)-2-Aminopentan-1-ol, (S)-(+)-2-Amino-1-pentanol, (2S)-2-aminopentan-1-ol, AC1OCVFB, AC1Q2SN5, 534587_ALDRICH, CTK4F0038, MolPort-001-795-058, 1-Pentanol, 2-amino-,(2S)-, ANW-60712, WTI-10449, AK-81386, KB-53338, I14-45949

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

InChIKey: ULAXUFGARZZKTK-YFKPBYRVSA-N

• (R)-2-Hydroxy-4-phenylbutyric acid
IUPAC Name: (2R)-2-hydroxy-4-phenylbutanoic acid | CAS Registry Number: 267013-77-4
Synonyms: 29678-81-7, (R)-(-)-2-Hydroxy-4-phenylbutyric acid, (2R)-2-hydroxy-4-phenylbutanoic acid, (R)-2-Hydroxy-4-phenylbutanoicAcid, (R)-2-hydroxy-4-phenylbutanoic acid, PubChem5687, SureCN233440, AC1MC05S, 420085_ALDRICH, AC1Q59Q5, Jsp005621, CTK4F8369, MolPort-001-794-060, ANW-26676, (r)-2-hydroxy-4-phenyl-butyric acid, AKOS015855449, AC-6643, R-(-)-2-Hydroxy-4-phenylbutyric acid, AK-34569, BR-34569

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JNJCEALGCZSIGB-SECBINFHSA-N

• 2,3-Difluorobenzyl alcohol
IUPAC Name: (2,3-difluorophenyl)methanol | CAS Registry Number: 75853-18-8
Synonyms: Ambap269, (2,3-Difluorophenyl)methanol, 290262_ALDRICH, JRD-0440, CID447153, ZINC00409277, DB04312, DFB

Molecular Formula: C7H6F2OMolecular Weight: 144.118746 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JSFGDUIJQWWBGY-UHFFFAOYSA-N

• 4-Fluorobenzyl Alcohol
IUPAC Name: (4-fluorophenyl)methanol | CAS Registry Number: 459-56-3
Synonyms: p-Fluorobenzyl alcohol, 4-Fluorobenzyl alcohol, 4-Fluorobenzylic alcohol, Ambap1661, Benzenemethanol, 4-fluoro-, CCRIS 5115, F7407_ALDRICH, 46765_FLUKA, EINECS 207-292-0, NSC 63347, Benzenemethanol, 4-fluoro- (9CI), NSC63347, ZINC00157464, F161, LS-188131

Molecular Formula: C7H7FOMolecular Weight: 126.128283 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GEZMEIHVFSWOCA-UHFFFAOYSA-N

• (S)-(-)-2-Aminomethyl-1-ethylpyrrolidine
IUPAC Name: [(2S)-1-ethylpyrrolidin-2-yl]methanamine | CAS Registry Number: 22795-99-9
Synonyms: (S)-2-(Aminomethyl)-1-ethylpyrrolidine, (S)-(1-ethylpyrrolidin-2-yl)methanamine, [(2S)-1-ethylpyrrolidin-2-yl]methanamine, (S)-1-Ethyl-2-aminomEthylpyrrolidine, PubChem18590, SureCN335433, AC1LD79V, 647446_ALDRICH, AC1Q314V, CTK3J6954, MolPort-001-768-823, ACN-S003785, ANW-24966, OR5103, (S)-2-Aminomethyl-1-ethylpyrrolidine, AKOS015854574, AG-E-65607, RP17305, (2S)-1-Ethyl-2-pyrrolidinemethanamine, (2S)-2-Aminomethyl-1-ethylpyrrolidine

Molecular Formula: C7H16N2Molecular Weight: 128.215340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UNRBEYYLYRXYCG-ZETCQYMHSA-N

• (R)(-)-2-Benzylamino-1-Butanol
IUPAC Name: (2R)-2-(benzylamino)butan-1-ol | CAS Registry Number: 6257-49-4
Synonyms: (R)-2-(benzylamino)butan-1-ol, ST081368, (2R)-2-(benzylamino)butan-1-ol, (2R)-2-[benzylamino]butan-1-ol, AC1LI9T2, SureCN1318063, AC1Q2C84, CTK3J6915, MolPort-000-871-071, SBB040057, AKOS000271181, AG-G-29987, KB-02799, FT-0605045, 1-Butanol, 2-[(phenylmethyl)amino]-, (R)-;(R)-(-)-N-Benzyl-2-amino-1-butanol;(R)-2-Benzylamino-1-butanol;(R)-N-Benzyl-2-aminobutanol;

Molecular Formula: C11H17NOMolecular Weight: 179.258780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PGFBTQBTIYCCFJ-LLVKDONJSA-N

• (2,4-Dimethyl-1,3-thiazol-5-yl)methanol
IUPAC Name: (2,4-dimethyl-1,3-thiazol-5-yl)methanol | CAS Registry Number: 50382-32-6
Synonyms: (2,4-dimethylthiazol-5-yl)methanol, (2,4-dimethyl-1,3-thiazol-5-yl)methanol, SBB054806, AG-F-69418, (2,4-Dimethyl-thiazol-5-yl)-methanol, (2,4-dimethyl-1,3-thiazol-5-yl)methan-1-ol, ZINC00158617, AC1MCQTV, PubChem15759, SureCN95057, AC1Q2OV8, CTK4J2547, MolPort-000-142-304, 5-Thiazolemethanol,2,4-dimethyl-, (2,4-dimethyl-5-thiazolyl)methanol, ANW-47179, STL214574, (dimethyl-1,3-thiazol-5-yl)methanol, AKOS005143006, MCULE-3363773760

Molecular Formula: C6H9NOSMolecular Weight: 143.206760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BRQKYVQSAUQHNC-UHFFFAOYSA-N

• 2-Chloro-3,4-Dimethoxybenzyl Alcohol
IUPAC Name: (2-chloro-3,4-dimethoxyphenyl)methanol | CAS Registry Number: 93983-13-2
Synonyms: 2-Chloroveratryl alcohol, Maybridge1_002248, ZINC00132916, BTB09912, EINECS 301-301-2, CID2775134, 20624-89-9

Molecular Formula: C9H11ClO3Molecular Weight: 202.634840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZXYBQLFOEYWYBM-UHFFFAOYSA-N

• (S)-(-)-Lactamide
IUPAC Name: (2S)-2-hydroxypropanamide | CAS Registry Number: 89673-71-2
Synonyms: Lactamide, 436828_ALDRICH, ZINC01457069, CID1530235

Molecular Formula: C3H7NO2Molecular Weight: 89.093180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SXQFCVDSOLSHOQ-REOHCLBHSA-N

• 4-N-butylphenylboronic Acid
IUPAC Name: (4-butylphenyl)boronic acid | CAS Registry Number: 145240-28-4
Synonyms: 4-Butylphenylboronic acid, 4-n-Butylphenylboronic acid, 4-Butylbenzeneboronic Acid, 4-Butylphenylboronicacid, (4-Butylphenyl)Boranediol, AG-D-89023, (4-butylphenyl)boronic Acid, PubChem18523, ACMC-209cue, AC1N2RDA, SureCN152142, AC1Q2VE3, AMTB386, 4-N-Butylphenylboronic acid,, KSC174K1F, 521493_ALDRICH, CHEMBL555064, Jsp002653, CTK0H4512, CHEBI:660042

Molecular Formula: C10H15BO2Molecular Weight: 178.035900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: UGZUUTHZEATQAM-UHFFFAOYSA-N

• (-)-Diisopropyl-L-malate
IUPAC Name: (2R)-2-propan-2-yl-2-propan-2-yloxybutanedioate | CAS Registry Number: 83541-68-8
Synonyms: ZINC05225807, CID7567745

Molecular Formula: C10H16O5-2Molecular Weight: 216.231040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: DQOODBSVDOAUMP-SNVBAGLBSA-L

• 4-Aminopyridine-3-Methanol
IUPAC Name: (4-aminopyridin-3-yl)methanol | CAS Registry Number: 138116-34-4
Synonyms: AmbTiA57015, 4-Aminopyridine-3-methanol, (4-aminopyridin-3-yl)methanol, (4-Amino-pyridin-3-yl)-methanol, CID10796739, A57015

Molecular Formula: C6H8N2OMolecular Weight: 124.140520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WNBVEYMTVDMSFZ-UHFFFAOYSA-N

• 1,2-Diphenylethylamine
IUPAC Name: 1,2-di(phenyl)ethanamine | CAS Registry Number: 25611-78-3
Synonyms: alpha-Benzylbenzylamine, alpha-Phenylphenethylamine, alpha-Phenylbenzeneethanamine, alpha,beta-Diphenylethylamine, 1-Amino-1,2-diphenylethane, Phenethylamine, alpha-phenyl-, Oprea1_325648, 137022_ALDRICH, Benzeneethanamine, alpha-phenyl-, EINECS 247-126-4, SBB000367, Benzeneethanamine, alpha-phenyl- (9CI), LS-103705

Molecular Formula: C14H15NMolecular Weight: 197.275600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DTGGNTMERRTPLR-UHFFFAOYSA-N

• 2-Bromoethoxy-T-Butyl Dimethylsilane
IUPAC Name: 2-bromoethoxy-tert-butyl-dimethylsilane | CAS Registry Number: 86864-60-0
Synonyms: (2-Bromoethoxy)-tert-butyldimethylsilane, 2-bromoethoxy-t-butyl dimethylsilane, (2-Bromoethoxy)(tert-butyl)dimethylsilane, 2-(t-butyldimethylsiloxy)ethylbromide, SBB054754, AG-G-02132, (2-bromo-ethoxy)-tert-butyl-dimethyl-silane, AC1MTUIO, AGN-PC-0DAHVK, AC1Q1LK3, KSC496M3J, ACMC-20a237, 428426_ALDRICH, CTK3J6634, MolPort-001-794-599, ANW-53633, GEO-02547, 2-Bromoethoxy-tert-butyldimethylsilane, AKOS015841200, 2-bromoethoxy-tert-butyl-dimethylsilane

Molecular Formula: C8H19BrOSiMolecular Weight: 239.225360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JBKINHFZTVLNEM-UHFFFAOYSA-N

• 4-Phenoxyphenylboronic acid
IUPAC Name: [4-(phenoxy)phenyl]boronic acid | CAS Registry Number: 51067-38-0
Synonyms: 480142_ALDRICH, [4-(phenoxy)phenyl]boronic acid, ALBB-006103, SBB003409, TE3078, TL800742126

Molecular Formula: C12H11BO3Molecular Weight: 214.024940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KFXUHRXGLWUOJT-UHFFFAOYSA-N

• 1-Bromo-5-(1,3-Dioxolan-2-Yl)thiophene
IUPAC Name: 2-(5-bromothiophen-2-yl)-1,3-dioxolane | CAS Registry Number: 52157-62-7
Synonyms: SureCN1680604, AC1Q251F, CTK1G3269, MolPort-001-791-332, AKOS016023236, AG-F-77457, 1,3-Dioxolane, 2-(5-bromo-2-thienyl)-, 2-(5-Bromothiophen-2-Yl)-1,3-Dioxolane, 1-BROMO-5-(1,3-DIOXOLAN-2-YL)THIOPHENE

Molecular Formula: C7H7BrO2SMolecular Weight: 235.098280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XBQREIMFJKOHEL-UHFFFAOYSA-N

• (S)-(+)-1-Methoxy-3-Phenyl-2-Propylamine Hydrochloride
IUPAC Name: (2S)-1-methoxy-3-phenylpropan-2-amine;hydrochloride | CAS Registry Number: 64715-81-7
Synonyms: (+)-O-Methyl-L-phenylalaninol hydrochloride, (S)-1-Methoxy-3-phenyl-2-propylamine hydrochloride, (S)-(+)-1-Methoxy-3-phenyl-2-propylamine hydrochloride, (S)-(+)-2-Amino-1-methoxy-3-phenylpropane hydrochloride, SureCN56418, (S)-(+)-alpha-(Methoxymethyl)phenethylamine hydrochloride, 459275_ALDRICH, 08399_FLUKA, AKOS015995118, RP25894, AK135428, KB-03670, (S)-1-Methoxy-3-phenylpropan-2-amine hydrochloride, (S)-(+)-|A-(Methoxymethyl)phenethylamine hydrochloride

Molecular Formula: C10H16ClNOMolecular Weight: 201.693140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: FTMKEFCCBFJBJI-PPHPATTJSA-N

• 1,2,3-Benzothiadiazole-5-carbonyl chloride
IUPAC Name: 1,2,3-benzothiadiazole-5-carbonyl chloride | CAS Registry Number: 321309-32-4
Synonyms: 1,2,3-benzothiadiazole-5-carbonyl chloride, ZINC02383422, AC1MC3CS, AC1Q3G6P, CTK1C2111, MolPort-000-142-376, SBB092380, AKOS006229968, AG-F-07248, CC09402, RP04179, BP-10328, 1,2,3-Benzothiadiazole-5-carbonylchloride, KB-147869, FT-0606214, Y8715, 1,2,3-benzothiadiazole-5-carbonyl chloride;, benzo[d]1,2,3-thiadiazole-5-carbonyl chloride, A821150, I14-60458

Molecular Formula: C7H3ClN2OSMolecular Weight: 198.629520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VOSTUOLSYXVSND-UHFFFAOYSA-N

• 1-Phenyl-1H-pyrazole-4-carboxylic acid
IUPAC Name: 1-phenylpyrazole-4-carboxylic acid | CAS Registry Number: 1134-50-5
Synonyms: Pyrazole, 1, 1-Phenylpyrazole-4-carboxylic acid, Pyrazole-4-carboxylic acid, 1-phenyl-, ALBB-000149, ZERO/008481, BRN 0139486, BAS 16289592, LS-128381, 5-25-04-00056 (Beilstein Handbook Reference), ZZA

Molecular Formula: C10H8N2O2Molecular Weight: 188.182720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZROILLPDIUNLSE-UHFFFAOYSA-N

• 4-Fluorobenzylamine
IUPAC Name: (4-fluorophenyl)methanamine | CAS Registry Number: 140-75-0
Synonyms: 1tnh, p-Fluorobenzylamine, Benzylamine, p-fluoro-, Benzenemethanamine, 4-fluoro-, 162493_ALDRICH, Benzylamine, p-fluoro- (8CI), EINECS 205-430-4, NSC158269, NSC 158269, F117, ST5213775, TL8000911

Molecular Formula: C7H8FNMolecular Weight: 125.143523 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IIFVWLUQBAIPMJ-UHFFFAOYSA-N

• 2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
IUPAC Name: 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol | CAS Registry Number: 269410-25-5
Synonyms: 518794_ALDRICH, BM013, ST5405611, 4-Hydroxy-3,5-dimethylphenylboronic acid pinacol ester, 3,5-Dimethyl-4-hydroxyphenylboronic acid pinacol ester, 4-Hydroxy-3,5-dimethylphenylboronic acid, pinacol cyclic ester

Molecular Formula: C14H21BO3Molecular Weight: 248.125740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: TYCKOBOJYNRIBO-UHFFFAOYSA-N

• (R)-(+)-1-Phenylethyl Isocyanate
IUPAC Name: [(1R)-1-isocyanatoethyl]benzene | CAS Registry Number: 33375-06-3
Synonyms: alpha-Methylbenzyl isocyanate, 220574_ALDRICH, 77968_FLUKA, (R)-(+)-1-Phenylethyl isocyanate, ZINC02548053, CID7018262, (R)-(+)-alpha-Methylbenzyl isocyanate

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

InChIKey: JJSCUXAFAJEQGB-MRVPVSSYSA-N

• 1,4-dihydro-2-(methylthio)-4-oxo-5-pyrimidine-carboxylate acid ethyl ester
IUPAC Name: ethyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate | CAS Registry Number: 53554-29-3
Synonyms: NCIOpen2_007256, NSC43816, ZINC00179971, ZINC01686087, ST5403456, EU-0009282

Molecular Formula: C8H10N2O3SMolecular Weight: 214.241600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HDIWKNXVBQPJCO-UHFFFAOYSA-N

• 1,3-Benzenedisulfonyl dichloride
IUPAC Name: benzene-1,3-disulfonyl chloride | CAS Registry Number: 585-47-7
Synonyms: m-Benzenedisulfonyl chloride, m-Benzenedisulfonyl dichloride, m-Phenylenedisulfonyl chloride, 1,3-Benzenedisulfonyl chloride, Benzene-1,3-disulfonyl chloride, 444642_ALDRICH, 3-Chlorosulfonylbenzenesulfonyl chloride, CID96240, NSC61429, Benzene-1,3-di(sulphonyl chloride), EINECS 209-556-0, NSC 61429, TL00307

Molecular Formula: C6H4Cl2O4S2Molecular Weight: 275.129560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ALIQZUMMPOYCIS-UHFFFAOYSA-N

• (-)-Bis[(S)-1-Phenylethyl]amine Hydrochloride
IUPAC Name: bis[(1S)-1-phenylethyl]azanium | CAS Registry Number: 40648-92-8
Synonyms: ZINC01729680, CID6994957

Molecular Formula: C16H20N+Molecular Weight: 226.336700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: NXLACVVNHYIYJN-KBPBESRZSA-O

• 4-Methybenzylamine
IUPAC Name: (4-methylphenyl)methanamine | CAS Registry Number: 104-84-7
Synonyms: p-Methylbenzylamine, 4-Methylbenzylamine, p-Xylylamine, Benzylamine, p-methyl-, Benzenemethanamine, 4-methyl-, M31201_ALDRICH, 1-(4-methylphenyl)methanamine, Benzylamine, p-methyl- (8CI), NSC66562, EINECS 203-243-2, NSC 66562, ST5213779, TL8006993, InChI=1/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H, 26177-45-7

Molecular Formula: C8H11NMolecular Weight: 121.179640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HMTSWYPNXFHGEP-UHFFFAOYSA-N

• (5-Bromo-2-methoxy-phenyl)-methanol
IUPAC Name: (5-bromo-2-methoxyphenyl)methanol | CAS Registry Number: 80866-82-6
Synonyms: 5-Bromo-2-methoxybenzyl alcohol, 189693_ALDRICH, EINECS 279-586-7, Benzenemethanol, 5-bromo-2-methoxy-, Benzyl alcohol, 5-bromo-2-methoxy-, ZINC00056493, ST5308583

Molecular Formula: C8H9BrO2Molecular Weight: 217.059860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HAOOGRLZVQWDBY-UHFFFAOYSA-N

• (1-Methyl-1h-1,2,3-Benzotriazol-5-Yl)methanol
IUPAC Name: (1-methylbenzotriazol-5-yl)methanol | CAS Registry Number: 120321-72-4
Synonyms: 1-Methyl-1H-benzotriazole-5-methanol, (1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)methanol, (1-Methyl-1H-1,2,3-Benzotriazol-5-Yl)Methanol, (1-methylbenzotriazol-5-yl)methanol, SBB067314, AG-D-44242, (1-methyl-5-benzotriazolyl)methanol, ZINC00158987, ACMC-1CCSS, AC1MCR1Y, AC1Q40FI, SureCN1939333, CTK0H3821, MolPort-000-142-693, ANW-47799, AKOS006228041, AC-4627, RP02303, SDCCGMLS-0066043.P001, (1-methylbenzotriazol-5-yl)methan-1-ol

Molecular Formula: C8H9N3OMolecular Weight: 163.176560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HVLCKOBNGNRDPT-UHFFFAOYSA-N

• (1R)-(-)-Camphor-10-sulfonyl chloride
IUPAC Name: [(1S,4R)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride | CAS Registry Number: 39262-22-1
Synonyms: L(-)-10-Camphorsulfonyl chloride, 10-Camphorsulfonyl chloride, Camphor-10-sulfonic acid chloride, (-)-Camphor-10-sulfonyl chloride, (1R)-Camphor-10-sulfonic acid chloride, ((1R,4S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, (1R)-(-)-10-Camphorsulfonyl chloride, L-(-)-10-Camphorsulfonyl chloride, PubChem8092, AC1Q2CCR, AC1Q2CCS, KSC914S0B, 301949_ALDRICH, 301957_ALDRICH, (7,7-Dimethyl-2-Oxo-Bicyclo[2.2.1]Hept-1-Yl)-Methanesulfonyl Chloride, 21382_FLUKA, CTK8B4900, MolPort-001-794-360, ACT04390, ANW-46637

Molecular Formula: C10H15ClO3SMolecular Weight: 250.742300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BGABKEVTHIJBIW-XVKPBYJWSA-N

• 1,3-Dichloro-4-Iodobenzene
IUPAC Name: 2,4-dichloro-1-iodobenzene | CAS Registry Number: 29898-32-6
Synonyms: 2,4-Dichloroiodobenzene, 1,3-Dichloro-4-iodobenzene, 2,4-Dichloro-1-iodobenzene, 283533_ALDRICH, NSC90657, CID96864, EINECS 249-938-4, BBV-5761532, InChI=1/C6H3Cl2I/c7-4-1-2-6(9)5(8)3-4/h1-3

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

InChIKey: ZQKJCBDCOGLKCQ-UHFFFAOYSA-N

• (R)-1,2,3,4-Tetrahydroisoquinolin-3-yl-methanol
IUPAC Name: [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol | CAS Registry Number: 62855-02-1
Synonyms: (3r)-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol, (R)-(1,2,3,4-Tetrahydroisoquinolin-3-yl)methanol, AC1LF5RT, SureCN4738129, Oprea1_551380, KSC288Q9P, CHEMBL61490, AC1Q77R7, CTK1I8897, CHEBI:194437, MolPort-001-770-607, KST-1A2333, ACT01977, AR-1A4279, OR8104, ZINC19802513, AKOS015856165, AG-G-31619, AK-35913, BR-35913

Molecular Formula: C10H13NOMolecular Weight: 163.216320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZSKDXMLMMQFHGW-SNVBAGLBSA-N

• (7-Bromo-2,3-Dihydro-1,4-Benzodioxin-6-Yl)(2-Methoxyphenyl)methanone
IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2-methoxyphenyl)methanone | CAS Registry Number: 175136-41-1
Synonyms: (7-Bromo-2,3-Dihydro-1,4-Benzodioxin-6-Yl)(2-Methoxyphenyl)Methanone, ZINC00134918, AC1LDWW3, AC1Q4EBN, Maybridge1_002238, Oprea1_037347, CTK4D5273, HMS547N16, MolPort-001-004-343, BTB12950, AKOS003592399, AG-E-24875, KB-62951, FT-0604842, I14-35325, 6-bromo-7-(2-methoxybenzoyl)-2,3-dihydro-1,4-benzodioxine, (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2-methoxyphenyl)methanone, Methanone,(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(2-methoxyphenyl)-, (7-BROMO-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)(2-METHOXYPHENYL)METHANONE;(7-Bromo-2,3-dihydro-1,4-benzodioxine-6-yl)-(2-methoxyphenyl)methanone;4,5-ETHYLENEDIOXY-2-(2-METHOXYBENZOYL)BROMOBENZENE

Molecular Formula: C16H13BrO4Molecular Weight: 349.176020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BHCZTJFCGPSSMC-UHFFFAOYSA-N

• 1-[4-(Bromomethyl)phenyl]-1H-1,2,4-triazole
IUPAC Name: 1-[4-(bromomethyl)phenyl]-1,2,4-triazole | CAS Registry Number: 58419-69-5
Synonyms: 1-[4-(bromomethyl)phenyl]-1,2,4-triazole, 1-[4-(Bromomethyl)Phenyl]-1H-1,2,4-Triazole, 1-(4-(bromomethyl)phenyl)-1H-1,2,4-triazole, ZINC00158902, zlchem 1040, AC1MCR0B, SureCN676381, AC1Q27N6, CTK8C4559, ZLD0506, MolPort-001-762-747, ANW-72347, SBB098889, AKOS015901995, AG-G-06667, OR23306, AK-41953, KB-10862, FT-0607135, A831872

Molecular Formula: C9H8BrN3Molecular Weight: 238.083920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NOUAEJFAVOHNSY-UHFFFAOYSA-N

• 1,2,4-Benzenetriol
IUPAC Name: benzene-1,2,4-triol | CAS Registry Number: 533-73-3
Synonyms: Hydroxyquinol, Hydroxyhydroquinone, 1,2,4-BENZENETRIOL, Oxyhydroquinone, 1,2,4-Trihydroxybenzene, Benzene-1,2,4-triol, 4-Hydroxycatechol, 2,5-Dihydroxyphenol, Hydroquinone, hydroxy-, Ambap71, 1,3,4-Benzenetriol, 1,3,4-Trihydroxybenzene, Oxyhydrochinon [German], WLN: QR BQ DQ, CCRIS 2987, 173401_ALDRICH, NSC 2818, CHEBI:16971, EINECS 208-575-1, NSC2818

Molecular Formula: C6H6O3Molecular Weight: 126.110040 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: GGNQRNBDZQJCCN-UHFFFAOYSA-N

• 2-Phenoxyphenylboronic acid
IUPAC Name: (2-phenoxyphenyl)boronic acid | CAS Registry Number: 108238-09-1
Synonyms: 2-Phenoxybenzeneboronic acid, (2-phenoxyphenyl)boronic Acid, (2-Phenoxyphenyl)Boranediol, SBB052558, PubChem9521, ACMC-1BNRK, AC1MCN4L, SureCN20600, 2-Phenoxyphenylboronic acid,, KSC174E3R, (2-phenoxyphenyl)boronic acid;, 521485_ALDRICH, AC1Q713Q, CTK0H4238, MolPort-000-149-930, 2-(Cyclohexyloxy)phenylboronic acid, ANW-15911, 2-(PHENOXY)BENZENEBORONIC ACID, AKOS003585342, AB07943

Molecular Formula: C12H11BO3Molecular Weight: 214.024940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AVOWPOFIQZSVGV-UHFFFAOYSA-N

• 1,2,3-Triphenylguanidine
IUPAC Name: 1,2,3-tri(phenyl)guanidine | CAS Registry Number: 101-01-9
Synonyms: sym-Triphenylguanidine, Triphenylguanidine, Guanidine, triphenyl-, N,N',N''-Triphenylguanidine, Maybridge4_003421, Guanidine, N,N',N''-triphenyl-, 1,2,3-Triphenylquanidine, WLN: RNUYMR & MR, N,N'N''-Triphenylguanidine, CBDivE_001970, GUANIDINE, 1,2,3-TRIPHENYL-, 1,2,3-Trifenylguanidin [Czech], N,N',N''-Triphenyl-guanidine, NSC 4051, EINECS 202-907-9, NSC4051, AIDS019357, AIDS-019357, BRN 2217588, RJC 02332

Molecular Formula: C19H17N3Molecular Weight: 287.358380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FUPAJKKAHDLPAZ-UHFFFAOYSA-N

• 2,4-Difluorobenzyl alcohol
IUPAC Name: (2,4-difluorophenyl)methanol | CAS Registry Number: 56456-47-4
Synonyms: (2,4-Difluorophenyl)methanol, Benzenemethanol, 2,4-difluoro-, CID91867, JRD-0070, EINECS 260-191-3, ZINC00409278, DB04448, 2,4-DIFLUOROBENZYL ALCOHOL 2,4-DIFLUORO-1-(HYDROXYMETHYL)BENZENE, 24B

Molecular Formula: C7H6F2OMolecular Weight: 144.118746 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NIJZBWHOHNWJBX-UHFFFAOYSA-N

• (R)-(-)-N-Methyl-1-Phenyl-2-(1-Pyrrolidino)Ethylamine
IUPAC Name: N-methyl-1-phenyl-2-pyrrolidin-1-ylethanamine | CAS Registry Number: 136329-39-0
Synonyms: DHA-0-0, CID3805138, OR12712, (1-Phenyl-2-pyrrolidinylethyl)methylamine, N-methyl-1-phenyl-2-pyrrolidin-1-yl-ethanamine

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

InChIKey: ZINZYRWMDNKTBY-UHFFFAOYSA-N

• 3,4-Dimethylbenzyl alcohol
IUPAC Name: (3,4-dimethylphenyl)methanol | CAS Registry Number: 6966-10-5
Synonyms: 3,4-DIMETHYLBENZYL ALCOHOL, Benzenemethanol, 3,4-dimethyl-, 188794_ALDRICH, NSC18728, EINECS 230-175-0, ZINC01561828, TL 00645, AI3-21300, InChI=1/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H

Molecular Formula: C9H12OMolecular Weight: 136.190980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OKGZCXPDJKKZAP-UHFFFAOYSA-N

• 2-Benzoxazoleacetic Acid
IUPAC Name: 2-(1,3-benzoxazol-2-yl)acetic acid | CAS Registry Number: 78756-98-6
Synonyms: 2-(benzo[d]oxazol-2-yl)acetic acid, Benzooxazol-2-yl-acetic acid, 1,3-benzoxazol-2-ylacetic acid, (1,3-Benzoxazol-2-yl)acetic acid, 2-(1,3-benzoxazol-2-yl)acetic acid, BENZO[D]OXAZOL-2-YL-ACETIC ACID, 2-Benzoxazoleaceticacid, AC1LIHHW, Ambcb4400849, Benzooxazol-2-ylacetic acid, SureCN3112570, 2-benzoxazol-2-ylacetic acid, 2-BENZOXAZOLEACETIC ACID, CTK2H6140, MolPort-001-757-426, ACT10340, ANW-52687, SBB089238, (BENZOXAZOL-2-YL)ACETIC ACID, AKOS006228358

Molecular Formula: C9H7NO3Molecular Weight: 177.156780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YMRAQUVISUIUNK-UHFFFAOYSA-N

• 2,4,6-Trimethylphenylboronic acid
IUPAC Name: (2,4,6-trimethylphenyl)boronic acid | CAS Registry Number: 5980-97-2
Synonyms: 2-Mesityleneboronic acid, Mesitylene-2-boronic acid, 542318_ALDRICH, 2,4,6-Trimethylbenzeneboronic acid, NSC157832, T5620G1, ST5405976, TL8003804

Molecular Formula: C9H13BO2Molecular Weight: 164.009320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BZXQRXJJJUZZAJ-UHFFFAOYSA-N

• 1-(2,4-Difluorophenyl)piperazine
IUPAC Name: 1-(2,4-difluorophenyl)piperazine | CAS Registry Number: 115761-79-0
Synonyms: 1-(2,4-Difluorophenyl)-piperazine, SBB016948

Molecular Formula: C10H12F2N2Molecular Weight: 198.212486 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: CMCSPBOWEYUGHB-UHFFFAOYSA-N


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