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• 2,2-Dichloroacetophenone
IUPAC Name: 2,2-dichloro-1-phenylethanone | CAS Registry Number: 2648-61-5
Synonyms: Phenacylidene chloride, 1,1-Dichloroacetophenone, WLN: GYGVR, Acetophenone, 2,2-dichloro-, 2,2-Dichloro-1-phenylethanone, alpha,alpha-Dichloroacetophenone, .alpha.,.alpha.-Dichloroacetophenone, D54850_ALDRICH, Ethanone, 2,2-dichloro-1-phenyl-, NSC 53617, AIDS017959, AIDS-017959, NSC53617, BRN 1864186, .omega.,.omega.-Dichloroacetophenone, ZINC01684586, LS-13459, 4-07-00-00644 (Beilstein Handbook Reference)

Molecular Formula: C8H6Cl2OMolecular Weight: 189.038640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CERJZAHSUZVMCH-UHFFFAOYSA-N

• 2,4-Dimethylpyridine
IUPAC Name: 2,4-dimethylpyridine | CAS Registry Number: 108-47-4
Synonyms: 2,4-Lutidine, Pyridine, 2,4-dimethyl-, 2,4-DIMETHYLPYRIDINE, alpha,gamma-Dimethylpyridine, L3609_ALDRICH, NSC 2156, EINECS 203-586-8, .alpha.,.gamma.-Dimethylpyridine, NSC2156, BRN 0001506, AI3-24281, LS-88368, 5-20-06-00019 (Beilstein Handbook Reference), InChI=1/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H

Molecular Formula: C7H9NMolecular Weight: 107.153060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JYYNAJVZFGKDEQ-UHFFFAOYSA-N

• 2-Amino-4-Methyl Pyridine
IUPAC Name: 4-methylpyridin-2-amine | CAS Registry Number: 695-34-1
Synonyms: Ascensil, 2-Amino-4-picoline, 4-Picolylamine, Aminton, W 45 Raschig, 2-amino-4-methylpyridine, 4-Methyl-2-pyridinamine, 2-Pyridinamine, 4-methyl-, 4-Methyl-2-pyridylamine, 4-Methyl-2-aminopyridine, 4-PICOLINE, 2-AMINO-, Methyl-4 amino-2-pyridine, nchembio.115-comp6, 4M2AP, alpha-Amino-gamma-picoline, Tocris-1020, Pyridine, 2-amino-4-methyl-, 4-methylpyridin-2-ylamine, WLN: T6NJ BZ D1, 4-METHYLPYRIDIN-2-AMINE

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ORLGLBZRQYOWNA-UHFFFAOYSA-N

• 2-Naphthoyl Chloride
IUPAC Name: naphthalene-2-carbonyl chloride | CAS Registry Number: 2243-83-6
Synonyms: 2-Naphthoyl chloride, beta-Naphthoyl chloride, 2-Naphthoic chloride, 2-Napthoyl chloride, 2-Naphthalenecarbonyl chloride, Ambap7254, .beta.-Naphthoyl chloride, 2-(Chlorocarbonyl)naphthalene, 250260_ALDRICH, beta-Naphthalenecarbonyl chloride, NSC9842, .beta.-Naphthalenecarbonyl chloride, NSC 9842, EINECS 218-822-5, ZINC01700214, TL8001881

Molecular Formula: C11H7ClOMolecular Weight: 190.625680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XNLBCXGRQWUJLU-UHFFFAOYSA-N

• 3-Aminocrotonic Acid 2'-Methoxyethyl Ester
IUPAC Name: 2-methoxyethyl 3-aminobut-2-enoate | CAS Registry Number: 50899-10-0
Synonyms: 2-METHOXYETHYL 3-AMINOCROTONATE, AGN-PC-01U9HM, CTK4J3318, 2-methoxyethyl 3-azanylbut-2-enoate, AG-F-71550, 3-amino-2-butenoic acid 2-methoxyethyl ester, 2-Butenoic acid,3-amino-, 2-methoxyethyl ester, 2-Butenoic acid, 3-amino-, 2-methoxyethyl ester, A828343, 2-Methoxyethyl3-aminocrotonate; 2-Methoxyethyl b-aminocrotonate

Molecular Formula: C7H13NO3Molecular Weight: 159.183020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XJOLYWNYMOPRKQ-UHFFFAOYSA-N

• 3-Methyl-2-Nitrobenzoic Acid
IUPAC Name: 3-methyl-2-nitrobenzoic acid | CAS Registry Number: 5437-38-7
Synonyms: 2-Nitro-m-toluic acid, 3-METHYL-2-NITROBENZOIC ACID, Benzoic acid, 3-methyl-2-nitro-, M60406_ALDRICH, MLS002152883, 68018_FLUKA, EINECS 226-610-9, NSC 16048, NSC16048, LS-1345, NCGC00091591-01, SMR001224496, ST5406142, TL8003564, M-4210, T5654945, InChI=1/C8H7NO4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DGDAVTPQCQXLGU-UHFFFAOYSA-N

• 3-Methyl-4-NitroBenzoic Acid
IUPAC Name: 3-methyl-4-nitrobenzoic acid | CAS Registry Number: 3113-71-1
Synonyms: 3-Methyl-4-nitrobenzoic acid, 4-Nitro-m-toluic acid, m-Toluic acid, 4-nitro-, Benzoic acid, 3-methyl-4-nitro-, M60600_ALDRICH, MLS002152884, TPC-B002, TPC-I001, EINECS 221-479-4, NSC 28455, NSC28455, 3-METHYL-4-NITRO-BENZOIC ACID, LS-1170, NCGC00091302-01, SB 01931, SMR001224497, ST5406139, TL8002381, M-4215

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XDTTUTIFWDAMIX-UHFFFAOYSA-N

• 4-Hydroxyindole
IUPAC Name: 1H-indol-4-ol | CAS Registry Number: 2380-94-1
Synonyms: Hydroxyindole, 4-Indolol, 1H-Indol-4-ol, 4-hydroxyindole, 18, 219878_ALDRICH, EINECS 219-177-2, ZINC00153008, F2313G1, SDCCGMLS-0065859.P001, ST5330636, TL8001968, C02040, H-6000, H-6010

Molecular Formula: C8H7NOMolecular Weight: 133.147280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NLMQHXUGJIAKTH-UHFFFAOYSA-N

• 5-Chloro-2-MethoxyBenzoic Acid
IUPAC Name: 5-chloro-2-methoxybenzoic acid | CAS Registry Number: 3438-16-2
Synonyms: 5-Chloro-o-anisic acid, 5-Chloro-2-methoxybenzoic acid, 292494_ALDRICH, Benzoic acid, 5-chloro-2-methoxy-, EINECS 222-343-7, ST5331787, InChI=1/C8H7ClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11

Molecular Formula: C8H7ClO3Molecular Weight: 186.592380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HULDRQRKKXRXBI-UHFFFAOYSA-N

• 5,6,7,8-Tetrahydro Quinoline
IUPAC Name: 5,6,7,8-tetrahydroquinoline | CAS Registry Number: 10500-57-9
Synonyms: 5,6,7,8-Tetrahydroquinoline, Quinoline, 5,6,7,8-tetrahydro-, EINECS 234-030-2, NSC241127, ZINC03852740, TL8000194, InChI=1/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7H,1-2,4,6H

Molecular Formula: C9H11NMolecular Weight: 133.190340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YQDGQEKUTLYWJU-UHFFFAOYSA-N

• 7-Methyl Quinoline
IUPAC Name: 7-methylquinoline | CAS Registry Number: 612-60-2
Synonyms: m-Toluquinoline, 7-METHYLQUINOLINE, Quinoline, 7-methyl-, CCRIS 2895, NCIOpen2_000315, 264911_ALDRICH, EINECS 210-316-2, NSC 65665, AIDS020532, AIDS-020532, NSC65665, BRN 0110317, ZINC01692514, AI3-00850, LS-1464, NCGC00091608-01, 5-20-07-00402 (Beilstein Handbook Reference), InChI=1/C10H9N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h2-7H,1H

Molecular Formula: C10H9NMolecular Weight: 143.185160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KDYVCOSVYOSHOL-UHFFFAOYSA-N

• 2,6-Lutidine
IUPAC Name: 2,6-dimethylpyridine | CAS Registry Number: 108-48-5
Synonyms: 2,6-Dimethylpyridine, Lutidine, Pyridine, 2,6-dimethyl-, alpha,alpha'-Lutidine, 2,6-LUTIDINE, 2,6-Dimethypyridine, alpha,alpha'-Dimethylpyridine, HSDB 79, FEMA No. 3540, .alpha.,.alpha.'-Lutidine, .alpha.,.alpha.'-Dimethylpyridine, W354007_ALDRICH, 336106_ALDRICH, L3900_SIAL, NSC 2155, 04991_FLUKA, CHEBI:32548, EINECS 203-587-3, NSC2155, ZINC00967330

Molecular Formula: C7H9NMolecular Weight: 107.153060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OISVCGZHLKNMSJ-UHFFFAOYSA-N

• 2-Chloroacetophenone
IUPAC Name: 2-chloro-1-phenylethanone | CAS Registry Number: 532-27-4
Synonyms: Phenacyl chloride, Tear Gas, Phenacylchloride, Mace, Chemical mace, Nutmeg butter, Nutmeg fat, Nutmeg oleoresin, Macis oil, Mace (lacrimator), Oil of nutmeg, Oil of mace, Oils, mace, Nutmeg butter fat, CN (lacrimator), 1-Chloroacetophenone, Nutmeg oil, fixed, Acetophenone, 2-chloro-, CHLOROACETOPHENONE, Fats, nutmeg butter

Molecular Formula: C8H7ClOMolecular Weight: 154.593580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IMACFCSSMIZSPP-UHFFFAOYSA-N

• 2-[1H-Benzotriazol-1-yl]-1,1,3,3-Tetramethyluronium Hexafluorophosphate
IUPAC Name: [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium | CAS Registry Number: 94790-37-1
Synonyms: ZINC00156069, CID130500, ZINC05224349

Molecular Formula: C11H16N5O+Molecular Weight: 234.277640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: CLZISMQKJZCZDN-UHFFFAOYSA-N

• 2-Methyl benzophenone
IUPAC Name: (2-methylphenyl)-phenylmethanone | CAS Registry Number: 131-58-8
Synonyms: o-Methylbenzophenone, 2-Methylbenzophenone, Phenyl o-tolyl ketone, Benzophenone, 2-methyl-, Ambap330, o-tolyl-phenyl-methanone, Methanone, (2-methylphenyl)phenyl-, NCIOpen2_000278, CBiol_000844, 157538_ALDRICH, Benzophenone, 2-methyl- (8CI), NSC67362, EINECS 205-032-0, ICCB4_000140, NSC 67362, ZINC01694419, AI3-11216

Molecular Formula: C14H12OMolecular Weight: 196.244480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CKGKXGQVRVAKEA-UHFFFAOYSA-N

• 2-Cyano Pyridine
IUPAC Name: pyridine-2-carbonitrile | CAS Registry Number: 100-70-9
Synonyms: Picolinonitrile, 2-Cyanopyridine, 2-Pyridyl nitrile, 2-PYRIDINECARBONITRILE, Picolinic acid nitrile, Pyridine-2-carbonitrile, Pyridinecarbonitrile, Picolinonitrile (8CI), C94602_ALDRICH, 2-Pyridinecarboxylic acid, nitrile, CHEBI:27837, HSDB 5338, NSC59697, EINECS 202-880-3, NSC 59697, SBB008920, ZINC00404339, TL8007316, C02221, InChI=1/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4

Molecular Formula: C6H4N2Molecular Weight: 104.109360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FFNVQNRYTPFDDP-UHFFFAOYSA-N

• 2-Hydroxy Quinoline
IUPAC Name: 1H-quinolin-2-one | CAS Registry Number: 59-31-4
Synonyms: Carbostyril, 2-Quinolinol, 2-Hydroxyquinoline, 2(1H)-Quinolinone, alpha-Quinolone, 2-Quinolone, Quinolin-2-ol, Quinolinol, Quinolin-2(1H)-one, 2-Quinolinone, 2(1H)-Quinolone, 2-Chinolinol, quinolin-2-one, .alpha.-Quinolone, alpha-Hydroxyquinoline, o-Aminocinnamic acid lactam, Carbostyril (VAN), 2-OXOQUINOLINE, 1H-quinolin-2-one, HYDROXYQUINOLINE

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LISFMEBWQUVKPJ-UHFFFAOYSA-N

• 2-Mercapto-5-Methoxybenzimidazole
IUPAC Name: 5-methoxy-1,3-dihydrobenzimidazole-2-thione | CAS Registry Number: 37052-78-1
Synonyms: Maybridge1_006266, MLS000083176, 5-Methoxy-2-benzimidazolethiol, 382485_ALDRICH, BB_SC-1604, EINECS 253-326-2, SBB000219, ZINC00058273, ZINC00389869, SMR000046769, TL8002732, 5-methoxy-1,3-dihydrobenzimidazole-2-thione, 5-methoxy-1H-benzimidazol-2-yl hydrosulfide, 1,3-Dihydro-5-methoxy-2H-benzimidazole-2-thione, AN-829/05700007, SR-01000534899-3, InChI=1/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12

Molecular Formula: C8H8N2OSMolecular Weight: 180.226920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: KOFBRZWVWJCLGM-UHFFFAOYSA-N

• 2-Methyl-3-Nitrobenzoic Acid
IUPAC Name: 2-methyl-3-nitrobenzoic acid | CAS Registry Number: 1975-50-4
Synonyms: 3-Nitro-o-toluic acid, 2-METHYL-3-NITROBENZOIC ACID, Benzoic acid, 2-methyl-3-nitro-, Oprea1_641068, 137847_ALDRICH, 3-Nitro-2-methyl benzoic acid, TPC-B005, TPC-I003, EINECS 217-826-4, CID16096, LS-976, NCGC00091604-01, ST5406632, M-4208, InChI=1/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YPQAFWHSMWWPLX-UHFFFAOYSA-N

• 2-Methylindole
IUPAC Name: 2-methyl-1H-indole | CAS Registry Number: 95-20-5
Synonyms: 2-METHYLINDOLE, 2-Methyl-1H-indole, Indole, 2-methyl-, 1H-Indole, 2-methyl-, M51407_ALDRICH, Indole, 2-methyl- (8CI), ARONIS020142, NSC 7514, EINECS 202-398-3, NSC7514, ZINC01088076, AI3-03945, LS-83246, LS-83247, ST040425, TL8005985, M-3895, InChI=1/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H, 2MI

Molecular Formula: C9H9NMolecular Weight: 131.174460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BHNHHSOHWZKFOX-UHFFFAOYSA-N

• 2-Pyridinol
IUPAC Name: 1H-pyridin-2-one | CAS Registry Number: 142-08-5
Synonyms: 2-Pyridone, 2-HYDROXYPYRIDINE, 2(1H)-Pyridinone, 2-Oxopyridine, 2-Pyridinone, alpha-Pyridone, Pyridin-2-ol, 2(1H)-Pyridone, .alpha.-Pyridone, Pyridinol, 2(lH)-Pyridinone, Pyridone-2 [French], pyridin-2(1H)-one, H56800_ALDRICH, 56380_FLUKA, CHEBI:16540, EINECS 205-520-3, NSC172522, AIDS081857, AIDS167209

Molecular Formula: C5H5NOMolecular Weight: 95.099300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UBQKCCHYAOITMY-UHFFFAOYSA-N

• 3,4-Difluoronitrobenzene
IUPAC Name: 1,2-difluoro-4-nitrobenzene | CAS Registry Number: 369-34-6
Synonyms: 1,2-Difluoro-4-nitrobenzene, Ambap1719, Benzene, 1,2-difluoro-4-nitro-, 288365_ALDRICH, EINECS 206-718-2, BRN 1944996, ZINC00152925, D129, LS-29842, TL8002726, 4-05-00-00720 (Beilstein Handbook Reference)

Molecular Formula: C6H3F2NO2Molecular Weight: 159.090326 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RUBQQRMAWLSCCJ-UHFFFAOYSA-N

• 3-Aminopyridine
IUPAC Name: pyridin-3-amine | CAS Registry Number: 462-08-8
Synonyms: 3-Pyridinamine, 3-AMINOPYRIDINE, 3-Pyridylamine, Amino-3 pyridine, beta-Aminopyridine, Pyridine, 3-amino-, pyridin-3-amine, pyridin-3-ylamine, .beta.-Aminopyridine, WLN: T6NJ CZ, A78209_ALDRICH, 09360_FLUKA, EINECS 207-322-2, NSC 15040, UN2671, AIDS021196, AIDS-021196, NSC15040, BRN 0105692, SBB004395

Molecular Formula: C5H6N2Molecular Weight: 94.114540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CUYKNJBYIJFRCU-UHFFFAOYSA-N

• 3-Chlorobenzaldehyde
IUPAC Name: 3-chlorobenzaldehyde | CAS Registry Number: 587-04-2
Synonyms: m-Chlorobenzaldehyde, 3-CHLOROBENZALDEHYDE, Benzaldehyde, 3-chloro-, Benzaldehyde, m-chloro-, meta-Chlorobenzaldehyde, C23403_ALDRICH, Benzaldehyde, m-chloro- (8CI), Benzaldehyde, 3-chloro- (9CI), CID11477, CPD-8778, NSC60107, EINECS 209-596-9, CPD-10660, NSC 60107, ZINC00164556, AI3-10532, ST5213346, TL8003756, InChI=1/C7H5ClO/c8-7-3-1-2-6(4-7)5-9/h1-5

Molecular Formula: C7H5ClOMolecular Weight: 140.567000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SRWILAKSARHZPR-UHFFFAOYSA-N

• 3-Cyanopyridine
IUPAC Name: pyridine-3-carbonitrile | CAS Registry Number: 100-54-9
Synonyms: Nicotinonitrile, 3-cyanopyridine, 3-Pyridinenitrile, 3-PYRIDINECARBONITRILE, 3-Azabenzonitrile, Nicotinic acid nitrile, 3-Pyridylcarbonitrile, 3-Cyjanopirydyna [Polish], C94807_ALDRICH, HSDB 5335, 3-Pyridinecarboxylic acid, nitrile, Nitryl kwasu nikotynowego [Polish], EINECS 202-863-0, NSC 17558, AIDS020411, AIDS-020411, NSC17558, BRN 0107711, SBB007554, ZINC00331637

Molecular Formula: C6H4N2Molecular Weight: 104.109360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GZPHSAQLYPIAIN-UHFFFAOYSA-N

• 3-Indole Acetic Acid
IUPAC Name: 2-(1H-indol-3-yl)acetic acid | CAS Registry Number: 87-51-4
Synonyms: indoleacetic acid, Heteroauxin, Rhizopin, 3-Indoleacetic acid, 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

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

InChIKey: SEOVTRFCIGRIMH-UHFFFAOYSA-N

• 3-Methyl Amino Crotonate
IUPAC Name: methyl (Z)-3-aminobut-2-enoate | CAS Registry Number: 14205-39-1
Synonyms: Methyl 3-aminocrotonate, Methyl 3-aminocrotonoate, methyl 3-aminobut-2-enoate, Methyl 3-amino-2-butenoate, 129712_ALDRICH, TL806431, 2-Butenoic acid, 3-amino-, methyl ester, ST5410479, TL8006151, B10003, InChI=1/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3/b4-3

Molecular Formula: C5H9NO2Molecular Weight: 115.130460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XKORCTIIRYKLLG-ARJAWSKDSA-N

• 3-Nitro-4-Methylbenzoic Acid
IUPAC Name: 4-methyl-3-nitrobenzoic acid | CAS Registry Number: 96-98-0
Synonyms: 4-Methyl-3-nitrobenzoic acid, 3-Nitro-p-toluic acid, m-Nitro-p-toluic acid, 3-Nitro-para-toluic acid, p-Toluic acid, 3-nitro-, 3-Nitro-4-methylbenzoic acid, Benzoic acid, 4-methyl-3-nitro-, Oprea1_315455, MLS002152889, 151408_ALDRICH, 68026_FLUKA, EINECS 202-549-3, NSC 50659, p-Toluic acid, 3-nitro- (8CI), NSC50659, 4-METHYL-3-NITRO BENZOIC ACID, 4-METHYL-3-NITRO-BENZOIC ACID, LS-2015, NCGC00091412-01, SMR001224501

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BBEWSMNRCUXQRF-UHFFFAOYSA-N

• 4-(2-Aminoethyl) Benzene Sulphonamide
IUPAC Name: 4-(2-aminoethyl)benzenesulfonamide | CAS Registry Number: 35303-76-5
Synonyms: 4-(2-Aminoethyl)benzenesulfonamide, TimTec1_004114, Oprea1_683536, CBDivE_002752, MLS000776589, 275247_ALDRICH, NSC29832, 4-(2-Aminoethyl)benzenesulphonamide, EINECS 252-501-0, aromatic/heteroaromatic sulfonamide 6, CID169682, SBB003544, Benzenesulfonamide, 4-(2-aminoethyl)-, SMR000371838, TL8006115, ZYX

Molecular Formula: C8H12N2O2SMolecular Weight: 200.258080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FXNSVEQMUYPYJS-UHFFFAOYSA-N

• 4(N N-Dimethylamine)Pyridine
IUPAC Name: N,N-dimethylpyridin-4-amine | CAS Registry Number: 1122-58-3
Synonyms: dmap, 4-Dimethylaminopyridine, p-Dimethylaminopyridine, 4-(Dimethylamino)pyridine, 4-Pyridinamine, N,N-dimethyl-, Pyridine, 4-(dimethylamino)-, N,N-Dimethylpyridin-4-amine, gamma-(Dimethylamino)pyridine, CCRIS 6176, N,N-DIMETHYL-4-PYRIDINAMINE, 107700_ALDRICH, 522805_ALDRICH, 522821_ALDRICH, 4-DIMETHYLAMINO PYRIDINE, 39405_FLUKA, EINECS 214-353-5, BRN 0110354, N,N-dimethyl-N-(4-pyridinyl)amine, SBB008765, LS-131426

Molecular Formula: C7H10N2Molecular Weight: 122.167700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VHYFNPMBLIVWCW-UHFFFAOYSA-N

• 4,7-Dichloro Quinloine
IUPAC Name: 4,7-dichloroquinoline | CAS Registry Number: 86-98-6
Synonyms: 4,7-Dichloroquinoline, QUINOLINE, 4,7-DICHLORO-, D74002_ALDRICH, NSC 593, 141437_ALDRICH, NSC593, WLN: T66 BNJ EG IG, 35610_FLUKA, EINECS 201-714-7, AIDS020537, AIDS-020537, TL 1473, BRN 0125359, ZINC00119471, 4,7-DICHLOROQUINOLINE, 90%, AI3-50374, LS-141805, ST5308125, 5-20-07-00316 (Beilstein Handbook Reference)

Molecular Formula: C9H5Cl2NMolecular Weight: 198.048700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HXEWMTXDBOQQKO-UHFFFAOYSA-N

• 4-Aminopyridine
IUPAC Name: pyridin-4-amine | CAS Registry Number: 504-24-5
Synonyms: 4-aminopyridine, 4-Pyridinamine, Fampridine, Avitrol, 4-Pyridylamine, p-Aminopyridine, Fampridine-SR, Neurelan, Pymadine, pyridin-4-amine, Pyridine, 4-amino-, Amino-4 pyridine, gamma-Aminopyridine, Aminopyridine, Ampydin, Pymadin, 4 Aminopyridine, Avitrol 200, Fampridine SR, Pimadin (free base)

Molecular Formula: C5H6N2Molecular Weight: 94.114540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NUKYPUAOHBNCPY-UHFFFAOYSA-N

• 4-Aminobenzonitrile
IUPAC Name: 4-aminobenzonitrile | CAS Registry Number: 873-74-5
Synonyms: 4-Cyanoaniline, p-Cyanoaniline, Benzonitrile, 4-amino-, Aniline, p-cyano-, Benzonitrile, p-amino-, P-AMINOBENZONITRILE, 1-Amino-4-cyanobenzene, para-aminobenzonitrile, WLN: ZR DCN, 147753_ALDRICH, C7H6N2, Benzonitrile, p-amino- (8CI), NSC 7625, 07010_FLUKA, EINECS 212-850-1, NSC7625, AIDS020236, AIDS-020236, BRN 0774507, BENZOIC ACID,4-AMINO,NITRILE

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YBAZINRZQSAIAY-UHFFFAOYSA-N

• 4-Chlorobenzophenone
IUPAC Name: (4-chlorophenyl)-phenylmethanone | CAS Registry Number: 134-85-0
Synonyms: p-Chlorobenzophenone, Benzophenone, 4-chloro-, p-CBP, 4-CHLOROBENZOPHENONE, para-Chlorobenzophenone, Methanone, (4-chlorophenyl)phenyl-, C25007_ALDRICH, HSDB 2740, Benzophenone, 4-chloro- (8CI), NSC2872, (4-Chlorophenyl)(phenyl)methanone, NSC 2872, EINECS 205-160-7, ZINC01594470, AI3-00705, ST5308103, TL8000816

Molecular Formula: C13H9ClOMolecular Weight: 216.662960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UGVRJVHOJNYEHR-UHFFFAOYSA-N

• 4-Chlorobenzhydrol
IUPAC Name: (4-chlorophenyl)-phenylmethanol | CAS Registry Number: 119-56-2
Synonyms: Chlorobenzhydrol, Chlorbenzhydrol, Benzhydrol, 4-chloro-, P-CHLOROBENZHYDROL, Benzhydrol, p-chloro-, (4-Chlorophenyl)phenylmethanol, 4-Chlorobenzhydryl alcohol, 124982_ALDRICH, Benzhydrol, 4-chloro- (8CI), Benzenemethanol, 4-chloro-.alpha.-phenyl-, NSC59990, EINECS 204-333-4, NSC 59990, Benzenemethanol, 4-chloro-alpha-phenyl-, TL806429, AI3-20881, ST5308048, C14672, 118014-08-7

Molecular Formula: C13H11ClOMolecular Weight: 218.678840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: AJYOOHCNOXWTKJ-UHFFFAOYSA-N

• 4-Chlorobenzhydrylchloride
IUPAC Name: 1-chloro-4-[chloro(phenyl)methyl]benzene | CAS Registry Number: 134-83-8
Synonyms: 4-Chlorobenzhydryl chloride, p-Chlorobenzhydryl chloride, 103314_ALDRICH, Methane, chloro(p-chlorophenyl)phenyl-, Chloro(p-chlorophenyl)phenylmethane, Chloro(4-chlorophenyl)phenylmethane, NSC49126, Benzene, 1-chloro-4-(chlorophenylmethyl)-

Molecular Formula: C13H10Cl2Molecular Weight: 237.124500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ALKWTKGPKKAZMN-UHFFFAOYSA-N

• 4-Cyanobenzoic Acid
IUPAC Name: 4-cyanobenzoic acid | CAS Registry Number: 619-65-8
Synonyms: 4-CYANOBENZOIC ACID, p-Cyanobenzoic acid, p-Carboxybenzonitrile, Benzoic acid, 4-cyano-, Benzoic acid, p-cyano-, Terephthalic acid mononitrile, C89803_ALDRICH, Benzoic acid, p-cyano- (8CI), NSC6306, NSC 6306, EINECS 210-606-9, SBB008570, FR-2274, TL8003998, AC-907/25014365, InChI=1/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11

Molecular Formula: C8H5NO2Molecular Weight: 147.130800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ADCUEPOHPCPMCE-UHFFFAOYSA-N

• 4-Pyridine Carboxylic Acid
IUPAC Name: pyridine-4-carboxylic acid | CAS Registry Number: 55-22-1
Synonyms: ISONICOTINIC ACID, 4-Carboxypyridine, 4-Picolinic acid, 4-Pyridinecarboxylic acid, gamma-Picolinic acid, isonicotonic acid, p-Pyridinecarboxylic acid, Pyridine-4-carboxylic acid, gamma-Pyridinecarboxylic acid, .gamma.-Picolinic acid, 1,4-Dihydroisonicotinic acid, Biomol-NT_000289, Acide iso-nicotinique [French], Oprea1_749724, I17508_ALDRICH, BPBio1_001365, CHEBI:6032, NSC 1483, 58930_FLUKA, EINECS 200-228-2

Molecular Formula: C6H5NO2Molecular Weight: 123.109400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: TWBYWOBDOCUKOW-UHFFFAOYSA-N

• 5-Bromo Indole
IUPAC Name: 5-bromo-1H-indole | CAS Registry Number: 10075-50-0
Synonyms: 5-BROMOINDOLE, 1H-Indole, 5-bromo-, Maybridge1_006195, NCIOpen2_000472, B68607_ALDRICH, NSC75581, 1H-Indole, 5-bromo- (9CI), CID24905, EINECS 233-208-7, NSC 75581, ZINC00081120, B2310G25, ST5330596, TL80073616, B-8420, B-8424, SR-01000632498-1, InChI=1/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10

Molecular Formula: C8H6BrNMolecular Weight: 196.043940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VXWVFZFZYXOBTA-UHFFFAOYSA-N

• 5-Cyanophthalide
IUPAC Name: 1-oxo-3H-2-benzofuran-5-carbonitrile | CAS Registry Number: 82104-74-3
Synonyms: 5-Cyano-3H-isobenzofuranone, 647195_ALDRICH, ZINC00337934, EINECS 279-900-2, CID821218, TL8005440, 1,3-Dihydro-1-oxo-5-isobenzofurancarbonitrile, 1,3-Dihydro-1-oxoisobenzofuran-5-carbonitrile, 1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile, AR-011/40257489

Molecular Formula: C9H5NO2Molecular Weight: 159.141500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XEEGWTLAFIZLSF-UHFFFAOYSA-N

• 5-Mercapto-1-Methyl-Ih-Tetrazole
IUPAC Name: 1-methyl-2H-tetrazole-5-thione | CAS Registry Number: 13183-79-4
Synonyms: N-Methyltetrazolethiol, 5-Mercapto-1-methyltetrazole, 1-Methyl-5-mercaptotetrazole, 1-Methyl-5-tetrazolethione, 1-Methyl-5-tetrazolinethione, 1-N-Methyl-5-thiotetrazole, 1-Methyl-1H-tetrazole-5-thiol, 1-Methyltetrazole-5-thiol, 1-Methyl-5-mercapto-1H-tetrazole, 1H-Tetrazole-5-thiol, 1-methyl-, 357871_ALDRICH, EINECS 236-132-2, NSC 520787, 1-Methyl-5-mercapto-1,2,3,4-tetrazole, NSC520787, ZINC03843103, ZINC04533852, 5H-Tetrazole-5-thione, 1,2-dihydro-1-methyl-, 1,2-Dihydro-1-methyl-5H-tetrazole-5-thione, LS-149189

Molecular Formula: C2H4N4SMolecular Weight: 116.144960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XOHZHMUQBFJTNH-UHFFFAOYSA-N

• 5-Methyl-1H-Tetrazole
IUPAC Name: 5-methyl-2H-tetrazole | CAS Registry Number: 4076-36-2
Synonyms: 5-Methyltetrazole, 1H-Tetrazole, 5-methyl-, 5-Methyl-1H-tetrazole, 535052_ALDRICH, NSC11136, ZERO/008529, CID138107

Molecular Formula: C2H4N4Molecular Weight: 84.079960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XZGLNCKSNVGDNX-UHFFFAOYSA-N

• 5-Methyl-2-Pyridinamine
IUPAC Name: 5-methylpyridin-2-amine | CAS Registry Number: 1603-41-4
Synonyms: 3-Picoline, 6-amino-, 6-Amino-3-picoline, 2-Amino-5-methylpyridine, 2-Pyridinamine, 5-methyl-, 2-AMINO-5-PICOLINE, 5-Methyl-2-pyridinamine, 5-Methyl-2-pyridylamine, 5-Methyl-2-aminopyridine, 6-Amino-3-methylpyridine, 5-methylpyridin-2-ylamine, NCIOpen2_001614, 5-METHYLPYRIDIN-2-AMINE, A75684_ALDRICH, NSC 1489, EINECS 216-503-5, NSC1489, NSC 96444, NSC96444, BRN 0107050, SBB004353

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CMBSSVKZOPZBKW-UHFFFAOYSA-N

• 9-Fluorenemethanol
IUPAC Name: 9H-fluoren-9-ylmethanol | CAS Registry Number: 24324-17-2
Synonyms: 9-Fluorenylmethanol, Fluorene-9-methanol, 9H-Fluorene-9-methanol, (Fluoren-9-yl)methanol, 9H-Fluoren-9-ylmethanol, 9-(Hydroxymethyl)fluorene, ChemDiv3_002715, 160504_ALDRICH, ZINC01004778, CID90466, EINECS 246-167-5, SBB008508, FR-2190, EU-0076483, F-2870, AN-512/13501009

Molecular Formula: C14H12OMolecular Weight: 196.244480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XXSCONYSQQLHTH-UHFFFAOYSA-N

• (R)(+) Alpha Methylbenzyl Amine
IUPAC Name: (1R)-1-phenylethanamine | CAS Registry Number: 3886-69-9
Synonyms: 1-Phenylethanamine, D-alpha-Methylbenzylamine, (1R)-1-phenylethanamine, (R)-()-1-Phenylethylamine, 115541_ALDRICH, (R)-()-alpha-Methylbenzylamine, 77879_FLUKA, 77880_FLUKA, CHEBI:35322, Benzenemethanamine, alpha-methyl-, (R)-alpha-Methylbenzenemethanamine, (alphaR)-alpha-methylbenzenemethanamine, SL-00443, InChI=1/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H, 98-84-0

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

InChIKey: RQEUFEKYXDPUSK-SSDOTTSWSA-N

• 1-Acetyl-4-(4-Hydroxyphenyl)-Piperazine
IUPAC Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone | CAS Registry Number: 67914-60-7
Synonyms: Oprea1_786576, 511943_ALDRICH, 1-Acetyl-4-(4-hydroxyphenyl)piperazine, ZINC00105363, EINECS 267-744-8, CID712441, SBB003353, SDCCGMLS-0066236.P001, TL8004782

Molecular Formula: C12H16N2O2Molecular Weight: 220.267640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AGVNLFCRZULMKK-UHFFFAOYSA-N

• 1-Aminoindan
IUPAC Name: 2,3-dihydro-1H-inden-1-amine | CAS Registry Number: 34698-41-4
Synonyms: 1-Aminoindane, 1-Indanamine, Indan-1-ylamine, NCIOpen2_000245, A59506_ALDRICH, NSC62540, EINECS 252-158-7, SBB004212, 1H-Inden-1-amine, 2,3-dihydro-, (+-)-, 1H-Inden-1-amine, 2,3-dihydro-, (.+/-.)-, 61949-83-5, InChI=1/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H

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

InChIKey: XJEVHMGJSYVQBQ-UHFFFAOYSA-N

• 1-Bromo-3-Chloropropane
IUPAC Name: 1-bromo-3-chloropropane | CAS Registry Number: 109-70-6
Synonyms: 3-Bromopropyl chloride, 3-Chloropropyl bromide, Trimethylene chlorobromide, Propane, 1-bromo-3-chloro-, 1,3-Chlorbromopropane, 1-Chloro-3-bromopropane, 3-Bromo-1-chloropropane, 3-Chloro-1-bromopropane, omega-Chlorobromopropane, 1-BROMO-3-CHLOROPROPANE, .omega.-Chlorobromopropane, l-Chloro-3-bromopropane, 1,3-Chbp, Trimethylene bromide chloride, I-BCP, Trimethylene bromochloride, CCRIS 6536, B62404_ALDRICH, HSDB 5394, B9673_SIGMA

Molecular Formula: C3H6BrClMolecular Weight: 157.436740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MFESCIUQSIBMSM-UHFFFAOYSA-N

• 1-Diphenyl Methyl Piperazine
IUPAC Name: 1-[di(phenyl)methyl]piperazine | CAS Registry Number: 841-77-0
Synonyms: Norcyclizine, 1-Benzhydrylpiperazine, Normethylcyclizine, Benzhydrylpiperazine, N-Benzhydrylpiperazine, 4-Benzhydrylpiperazine, Diphenylmethylpiperazine, 1-(Diphenylmethyl)piperazine, N-(Diphenylmethyl)piperazine, 1-Benzhydryl-piperazine, ChemDiv3_014411, Piperazine, 1-(diphenylmethyl)-, Oprea1_339020, CBDivE_013583, CBDivE_013587, MLS001202210, 43124_FLUKA, EINECS 212-667-7, PPP-0-0, NSC 35536

Molecular Formula: C17H20N2Molecular Weight: 252.354100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NWVNXDKZIQLBNM-UHFFFAOYSA-N

• 1-Ethyl-(3 Dimethylamino)Propyl Carbodiamide
IUPAC Name: 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine hydrochloride | CAS Registry Number: 25952-53-8
Synonyms: EDCI, EDAC, Hydrochloride, EDAP, WLN: 2NCN3N1&1 &GH, NSC97064, [3-(Dimethylamino)propyl]ethyl carbodiimide hydrochloride, 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride, 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide, HCl, 1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride, N-ETHYL-N'(3-DIMETHYLAMINOPROPYL) CARBODIIMIDE HCl, 1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide hydrochloride, 1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide monohydrochloride, 1-Ethyl-3-[(3-(dimethylamino)propyl]carbodiimide hydrochloride, 1-Ethyl-3-[3'-(dimethylamino)propyl]carbodiimide hydrochloride, Carbodiimide, [3-(dimethylamino)propyl]ethyl-, hydrochloride, N-[3-(Dimethylamino)propyl]-N'-ethylcarbodiimide hydrochloride, N-Ethyl-N'-(3-dimethylaminopropyl)carbodiimide hydrochloride, N-Ethyl-N'-[3-(dimethylamino)propyl]carbodiimide hydrochloride, 1-Ethyl-3-[3-(dimethylamino)propyl]carbodiimide monohydrochloride, CARBODIIMIDE, (3-DIMETHYLAMINOPROPYL)ETHYL-, HYDROCHLORIDE

Molecular Formula: C8H18ClN3Molecular Weight: 191.701620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FPQQSJJWHUJYPU-UHFFFAOYSA-N


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