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DKSH Switzerland Ltd.

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• 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

• 2,2'-Dithiosalicylic Acid
IUPAC Name: 2-(2-carboxyphenyl)disulfanylbenzoic acid | CAS Registry Number: 119-80-2
Synonyms: Dithiosalicylic acid, 2,2'-Dithiodibenzoic acid, Bis(2-carboxyphenyl) disulfide, 2-Carboxyphenyl disulfide, Bis(o-carboxylphenyl) disulfide, Disulfide benzamide analog, Benzoic acid, 2,2'-dithiobis-, Bis(o-carboxyphenyl) disulfide, 2,2'-Dithiodi(benzoic acid), 2,2'-Dithiosalicylic acid, NSC213, 2,2'-Dithiobis(benzoic acid), MLS001216615, NSC 213, NSC5346, 2,2'-Dithiobis[benzoic acid], 389285_ALDRICH, NSC 5346, 43761_FLUKA, BENZOIC ACID, 2,2'-DITHIODI-

Molecular Formula: C14H10O4S2Molecular Weight: 306.356800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LBEMXJWGHIEXRA-UHFFFAOYSA-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

• 4-Aminophenol
IUPAC Name: 4-aminophenol | CAS Registry Number: 123-30-8
Synonyms: 4-aminophenol, p-aminophenol, 4-hydroxyaniline, p-hydroxyaniline, Certinal, Paranol, Citol, Azol, 4-aminobenzenol, Phenol, 4-amino-, Activol, Rodinal, Phenol, p-amino-, Fouramine P, Benzofur P, Fourrine P Base, Pelagol P Base, Tertral P Base, Ursol P, Furro P Base

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PLIKAWJENQZMHA-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

• 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-[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

• (-)-Cis-2-Benzamidocyclohexanecarboxylic Acid
IUPAC Name: (1R,2S)-2-benzamidocyclohexane-1-carboxylate | CAS Registry Number: 26693-55-0
Synonyms: ZINC01081437, CID6978776

Molecular Formula: C14H16NO3-Molecular Weight: 246.281740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PUANNVQABXUYKU-NEPJUHHUSA-M

• 3-(1-(Dimethylamino)ethyl]phenol
IUPAC Name: 3-[1-(dimethylamino)ethyl]phenol | CAS Registry Number: 105601-04-5
Synonyms: 3-[1-(dimethylamino)ethyl]phenol, Phenol, 3-[1-(dimethylamino)ethyl]-, 3-(1-(DIMETHYLAMINO)ETHYL]PHENOL, Phenol,3-[1-(dimethylamino)ethyl]-, AG-D-19286, 3-(1-(dimethylamino)ethyl)phenol, (S)-3-1(- Dimethylamino)ethylphenol, Phenol,3-[(1S)-1-(dimethylamino)ethyl]-, ACMC-209vzk, AC1L8WWC, SureCN43343, ACMC-209vt2, PHE015, RA08, CTK4A3955, MolPort-005-938-476, ANW-45726, AKOS015850703, 3-(1-DIMETHYLAMINOETHYL)PHENOL, AC-3488

Molecular Formula: C10H15NOMolecular Weight: 165.232200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GQZXRLWUYONVCP-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

• 1-benzylpiperazine
IUPAC Name: 1-(phenylmethyl)piperazine | CAS Registry Number: 2759-28-6
Synonyms: 1-Benzylpiperazine, N-benzylpiperazine, Benzylpiperazine, 4-Benzylpiperazine, Piperazine, 1-benzyl-, nchembio814-comp10, 1-(phenylmethyl)piperazine, Piperazine, polymer-bound, Piperazine, 1-(phenylmethyl)-, 526290_ALDRICH, 547549_ALDRICH, Piperazine, 1-benzyl- (8CI), 13815_FLUKA, EINECS 220-423-6, 1-Benzylpiperazine dihydrochloride, NSC 40889, NSC40889, EINECS 226-188-6, SBB007534, AI3-52573

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

InChIKey: IQXXEPZFOOTTBA-UHFFFAOYSA-N

• 3-Indole Carboxaldehyde
IUPAC Name: 1H-indole-3-carbaldehyde | CAS Registry Number: 487-89-8
Synonyms: Indole-3-aldehyde, 3-Formylindole, Indole-3-carbaldehyde, INDOLE-3-CARBOXALDEHYDE, 1H-Indole-3-carboxaldehyde, 3-indolemethanal, 3-Indolealdehyde, beta-Indolylaldehyde, Indol-3-carboxaldehyde, 3-Indolecarboxaldehyde, 3-Indolecarbaldehyde, .beta.-Indolylaldehyde, 1H-Indole-3-carbaldehyde, INDOLE-3-CARBOXYALDEHYDE, 129445_ALDRICH, EINECS 207-665-8, NSC 10118, AIDS019632, AIDS-019632, NSC10118

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OLNJUISKUQQNIM-UHFFFAOYSA-N

• 2-Chlorobenzimidazole
IUPAC Name: 2-chloro-1H-benzimidazole | CAS Registry Number: 4857-06-1
Synonyms: 1H-Benzimidazole, 2-chloro-, Benzimidazole, 2-chloro-, 2-Chloro-1H-benzimidazole, 592277_ALDRICH, NSC111358, CID78572, EINECS 225-453-3, SBB006585, ZINC00152282, NSC 111358, InChI=1/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10

Molecular Formula: C7H5ClN2Molecular Weight: 152.581000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AYPSHJCKSDNETA-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

• 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

• 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-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

• 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

• 2,3,5-Trichloropyridine
IUPAC Name: 2,3,5-trichloropyridine | CAS Registry Number: 16063-70-0
Synonyms: 2,3,5-TRICHLOROPYRIDINE, Pyridine, 2,3,5-trichloro-, ZERO/001504, 384275_ALDRICH, TPC-I005, CID27666, BRN 0119384, ZINC00084933, T250, LS-132112, EU-0067746, 5-20-05-00420 (Beilstein Handbook Reference), AF-834/25001439, InChI=1/C5H2Cl3N/c6-3-1-4(7)5(8)9-2-3/h1-2

Molecular Formula: C5H2Cl3NMolecular Weight: 182.435080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CNLIIAKAAMFCJG-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

• 1-Naphthaldehyde
IUPAC Name: naphthalene-1-carbaldehyde | CAS Registry Number: 66-77-3
Synonyms: alpha-Naphthal, 1-Formylnaphthalene, 1-Naphthylaldehyde, Naphthaldehyde, alpha-Naphthaldehyde, I-Napthaldehyde, .alpha.-Naphthal, alpha-Naphthylaldehyde, 1-NAPHTHALENECARBOXALDEHYDE, .alpha.-Naphthaldehyde, alpha-Naphthylcarboxaldehyde, .alpha.-Naphthylaldehyde, N109_ALDRICH, .alpha.-Naphthylcarboxaldehyde, 1-NAPHTHALDEHYDE, REAG, NAPHTHALENECARBOXALDEHYDE, NSC 6106, 70180_FLUKA, EINECS 200-633-4, NSC6106

Molecular Formula: C11H8OMolecular Weight: 156.180620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SQAINHDHICKHLX-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

• 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-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

• 2-(S)-Hydroxy-4-phenyl-butyric acid
IUPAC Name: (2S)-2-hydroxy-4-phenylbutanoic acid | CAS Registry Number: 115016-95-0
Synonyms: (S)-2-Hydroxy-4-phenylbutyric Acid, SureCN360781, CTK4A9111, MolPort-003-847-980, ANW-16824, AKOS006291801, AKOS015855343, (2S)-2-hydroxy-4-phenylbutanoic acid, AG-D-35769, AK-32895, Benzenebutanoic acid, a-hydroxy-, (aS)-, BR-32895, KB-04988, H1339, X9098, I01-6727, Benzenebutanoicacid, a-hydroxy-, (S)-;(S)-2-Hydroxy-4-phenylbutanoic acid;(S)-2-Hydroxy-4-phenylbutyric acid;(S)-a-Hydroxybenzenebutanoate;L-4-Phenyl-a-hydroxybutyric acid;

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

InChIKey: JNJCEALGCZSIGB-VIFPVBQESA-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

• [(R)-(+)-1-(4-Methylphenyl)ethyl]amine
IUPAC Name: (1R)-1-(4-methylphenyl)ethanamine;hydrochloride | CAS Registry Number: 4187-38-6
Synonyms: (R)-1-(4-Methylphenyl)ethylamine hydrochloride, (R)-1-(4-METHYLPHENYL)ETHYLAMINE-HCl, 404336-49-8, (R)-1-p-tolylethanamine, MolPort-020-014-056, ANW-45244, AKOS015923162, AKOS015998853, (R)-1-(p-Tolyl)ethanamine hydrochloride, AK-45033, KB-144709

Molecular Formula: C9H14ClNMolecular Weight: 171.667160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: QDWBCLYSNFCQGQ-DDWIOCJRSA-N

• (R)-1-(4-Nitro-phenyl)-ethylamine
IUPAC Name: (1R)-1-(4-nitrophenyl)ethanamine | CAS Registry Number: 22038-87-5
Synonyms: (R)-1-(4-Nitrophenyl)ethylamine, (1R)-1-(4-nitrophenyl)ethanamine, (1R)-1-(4-nitrophenyl)ethylamine, (R)-1-(4-Nitrophenyl)-ethylamine, SBB063454, AG-E-60985, (1R)-1-(4-nitrophenyl)ethan-1-amine, AC1LOQVH, SureCN353942, AC1Q298Q, CTK4E8352, MolPort-002-052-026, (+)-1-(4-Nitrophenyl)ethylamine, (R)-|A-Methyl-4-nitrobenzylamine, (R)-|A-(4-Nitrophenyl)ethylamine, ANW-44794, R-(+)-|A-Methyl-p-nitrobenzylamine, AKOS010367107, AKOS015840225, R-(+)-|A-Methyl-4-nitrobenzylamine

Molecular Formula: C8H10N2O2Molecular Weight: 166.177200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RAEVOBPXEHVUFY-ZCFIWIBFSA-N

• (S)-2-Tetrahydrofuroic acid
IUPAC Name: (2S)-oxolane-2-carboxylic acid | CAS Registry Number: 87392-07-2
Synonyms: (S)-(-)-2-Tetrahydrofuroic Acid, (S)-(-)-Tetrahydro-2-furoic acid, (2S)-oxolane-2-carboxylic acid, (S)-(-)-2-Carboxytetrahydrofuroic acid, (S)-tetrahydro-2-furoic acid, (S)-(-)-Tetrahydrofuran-2-carboxylic Acid, AG-H-52599, TFB, 2-Furancarboxylic acid, tetrahydro-, PubChem5795, SureCN239908, AC1L9JY0, AC1Q71BL, UNII-0I2B46K2SJ, (-)-Tetrahydro-2-furoic acid, (2S)-2-oxolanecarboxylic acid, 527890_ALDRICH, CTK3J6635, MolPort-001-792-498, Tetrahydro-2-furoic acid, (-)-

Molecular Formula: C5H8O3Molecular Weight: 116.115220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UJJLJRQIPMGXEZ-BYPYZUCNSA-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

• 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

• (S)-(-)-4-Bromo-alpha-phenylethylamine
IUPAC Name: 1-(4-bromophenyl)ethanamine | CAS Registry Number: 27298-97-1
Synonyms: p-Bromo-alpha-methylbenzylamine, 154067_ALDRICH, 4-Bromo-alpha-methylbenzylamine, (+)-p-Bromo-.alpha.-phenethylamine, (-)-1-(4-Bromophenyl)ethylamine, EINECS 246-200-3, EINECS 256-245-0, (R)-4-Bromo-alpha-methylbenzylamine, SBB006746, Benzenemethanamine, 4-bromo-.alpha.-methyl-, (R)-, InChI=1/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H, 24358-62-1, 45791-36-4

Molecular Formula: C8H10BrNMolecular Weight: 200.075700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SOZMSEPDYJGBEK-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-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

• (S)-(-)-N-Benzyl-alpha-methylbenzylamine
IUPAC Name: cyclohexylmethyl-[(1S)-1-phenylethyl]azanium | CAS Registry Number: 17480-69-2
Synonyms: ZINC04167524, ZINC04167527, CID7119426

Molecular Formula: C15H24N+Molecular Weight: 218.357760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: UHABCGJJMSQRRP-ZDUSSCGKSA-O

• (S)-(+)-Alpha-Methoxyphenylacetic acid
IUPAC Name: 2-methoxy-2-phenylacetic acid | CAS Registry Number: 26164-26-1
Synonyms: Methoxyphenylacetic acid, MOPA, Methoxy(phenyl)acetic acid, Acetic acid, methoxyphenyl-, Acetic acid, methoxyphenyl, alpha-Methoxyphenylacetic acid, Bionet2_000356, O-Methyl-DL-mandelic acid, (methyloxy)(phenyl)acetic acid, M2876_SIGMA, 2-methoxy-2-phenylacetic acid, 248975_ALDRICH, Benzeneacetic acid, .alpha.-methoxy-, (1)-(Methoxy)phenylacetic acid, .alpha.-Methoxyphenylacetic acid, 65210_FLUKA, NSC5665, ()-alpha-Methoxyphenylacetic acid, Benzeneacetic acid, alpha-methoxy-, NSC 5665

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DIWVBIXQCNRCFE-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

• 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

• 1-Methylindole
IUPAC Name: 1-methylindole | CAS Registry Number: 603-76-9
Synonyms: N-Methylindole, 1-Methyl-1H-indole, Indole, 1-methyl-, 1H-Indole, 1-methyl-, 1-METHYLINDOLE, Ambap4500, 1-Methylindole (N-), Indole, 1-methyl- (8CI), 193984_ALDRICH, CID11781, EINECS 210-057-5, NSC212534, ZINC01750961, NSC 212534, LS-83245, M-3893, InChI=1/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H

Molecular Formula: C9H9NMolecular Weight: 131.174460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BLRHMMGNCXNXJL-UHFFFAOYSA-N

• 1H-Tetrazole
IUPAC Name: 2H-tetrazole | CAS Registry Number: 288-94-8
Synonyms: 2H-Tetrazole, Tetraazacyclopentadiene, Tetrazole, 1-H-Tetrazole, Tetrazole solution, 88185_FLUKA, CHEBI:33193, CHEBI:33194, AIDS020352, 554049_SIAL, AIDS-020352, NSC36712, ZERO/000047, EINECS 206-023-4, NSC 36712, AI3-61734, T-2400, T-2440, InChI=1/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5, 100043-29-6

Molecular Formula: CH2N4Molecular Weight: 70.053380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KJUGUADJHNHALS-UHFFFAOYSA-N

• 4-Amino-1-benzylpiperidine
IUPAC Name: 1-(phenylmethyl)piperidin-4-amine | CAS Registry Number: 50541-93-0
Synonyms: ChemDiv2_003367, 1-benzylpiperidin-4-amine, 1-Benzyl-4-piperidylamine, Oprea1_198193, 4-Amino-1-benzyl-piperidine, 195812_ALDRICH, 07100_FLUKA, ALBB-004684, EINECS 256-620-9, NSC730607, SBB000289, 4-Piperidinamine, 1-(phenylmethyl)-, SDCCGMLS-0066225.P001, TL8003356

Molecular Formula: C12H18N2Molecular Weight: 190.284720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YUBDLZGUSSWQSS-UHFFFAOYSA-N

• 3(3-chloropropyl)-2,3 Dihydro 1H-Benzimidazole-2-One
IUPAC Name: 3-(3-chloropropyl)-1H-benzimidazol-2-one | CAS Registry Number: 62780-89-6
Synonyms: ChemDiv2_000053, EINECS 263-731-6, SBB003442, ZINC02168830, CID1810419, EU-0066726, 1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one

Molecular Formula: C10H11ClN2OMolecular Weight: 210.660140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GUMPYDGUYXOYML-UHFFFAOYSA-N

• 1,1-Diphenylethanol
IUPAC Name: 1,1-diphenylethanol | CAS Registry Number: 599-67-7
Synonyms: Diphenylmethylcarbinol, Methyldiphenylcarbinol, alpha-Methylbenzhydrol, 1,1-Diphenyl-1-ethanol, Benzhydrol, .alpha.-methyl-, .alpha.-Methylbenzhydrol, NSC33, alpha-Methylbenzhydryl alcohol, 1,1-DIPHENYL ETHANOL, 152145_ALDRICH, NSC 33, Benzhydrol, alpha-methyl- (8CI), CID69031, EINECS 209-970-1, ICCB1_000119, ZINC01090568, Benzenemethanol, .alpha.-methyl-.alpha.-phenyl-, BBV-27279572, AI3-05842, Benzenemethanol, alpha-methyl-alpha-phenyl-

Molecular Formula: C14H14OMolecular Weight: 198.260360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GIMDPFBLSKQRNP-UHFFFAOYSA-N

• 3-(4'-Fluorobenzy)-2-chlorobenzimidazole
IUPAC Name: 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole | CAS Registry Number: 84946-20-3
Synonyms: 568694_ALDRICH, EINECS 284-624-0, CID3020241, 1-(4-Fluorobenzyl)-2-chlorobenzimidazole, 2-Chloro-1-(4-Fluorobenzyl)benzimidazole, 2-Chloro-1-(4-fluorobenzyl)-1H-benzimidazole, 2-Chloro-1-((4-fluorophenyl)methyl)-1H-benzimidazole

Molecular Formula: C14H10ClFN2Molecular Weight: 260.694003 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PGXALMVNIRPELS-UHFFFAOYSA-N

• 2-(1-Hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione
IUPAC Name: 2-acetyl-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one | CAS Registry Number: 94142-97-9
Synonyms: 2-(1-hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione, 2-acetyldimedone(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl-dde, dde-oh, (4,4-Dimethyl-2,6-Dioxocyclohexylidene)Ethyl pound inverted question markAlcohoc, AC1LBZJA, PubChem23870, SureCN11609643, CTK1B5606, AKOS002236317, 2-Acetyldimedone(4,4-dimethyl-2,6-, AG-H-87609, AG-J-05671, AC-14489, KB-162167, FT-0642263, A11059, (4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl alcohol, 2-Acetyl-3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one, 2-acetyl-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one, 1-Cyclohexen-3-one, 2-acetyl-1-hydroxy-5,5-dimethyl-

Molecular Formula: C10H14O3Molecular Weight: 182.216360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DIJDAMFZOHSRID-UHFFFAOYSA-N

• 2-Aminoindane
IUPAC Name: 2,3-dihydro-1H-inden-2-amine | CAS Registry Number: 2975-41-9
Synonyms: 2-Aminoindan, Indan-2-amine, 2,3-Dihydro-1H-inden-2-ylamine, 479128_ALDRICH, 1H-Inden-2-amine, 2,3-dihydro-, BB_SC-1729, ALBB-008925, EINECS 221-021-3, SDCCGMLS-0066231.P001, 2338-18-3

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

InChIKey: LMHHFZAXSANGGM-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

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

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

InChIKey: LNETULKMXZVUST-UHFFFAOYSA-N

• 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

• 2-Methylbenzhydrylchloride
IUPAC Name: 1-[chloro(phenyl)methyl]-2-methylbenzene | CAS Registry Number: 41870-52-4
Synonyms: 2-METHYLBENZHYDRYL CHLORIDE, 2-Methyl benzhydryl chloride, 1-[chloro(phenyl)methyl]-2-methylbenzene, SBB070797, AG-E-08223, 1(-Chlorophenyl-methyl)-2-mehtylbenzene, 1-(Chloro(phenyl)methyl)-2-methylbenzene, AC1Q2EMY, ACMC-1AN31, SureCN10799696, 2-(alpha-Chlorobenzyl)toluene, CTK8B1668, MolPort-002-470-572, Chloro(2-methylphenyl)phenylmethane, ANW-29693, AKOS001261297, 2-(chlorophenylmethyl)-1-methylbenzene, AG-F-48787, MCULE-4606041590, AC-14475

Molecular Formula: C14H13ClMolecular Weight: 216.706020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VTZTUKIBJQCCMO-UHFFFAOYSA-N


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