Chengdu King-tiger Pharm-chem. Tech. Co., Ltd.

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• 4-N-boc-Methylamino Piperidine

IUPAC Name: tert-butyl N-methyl-N-piperidin-4-ylcarbamate | CAS Registry Number: 108612-54-0
Synonyms: 4-N-Boc-4-N-methyl-aminopiperidine, tert-butyl methyl(piperidin-4-yl)carbamate, 4-boc-4-methylaminopiperidine, tert-butyl N-methyl-N-(piperidin-4-yl)carbamate, Methyl-piperidin-4-yl-carbamic acid tert-butyl ester, Tert-butyl N-methyl-N-(4-piperidyl)carbamate, 4-(N-Boc-N-methylamino)piperidine, 4-N-Boc-4-N-methylaminopiperidine, 4-aminopiperidine-n-methyl, n-boc protected, methyl-piperidine-4-yl-carbamic acid tert-butyl ester, PubChem7637, AC1MBUEV, SureCN135183, AC1Q3X89, CTK6H9225, MolPort-000-151-701, 4-BOC-METHYLAMINOPIPERIDINE, BH563, ACN-S003757, ACT02071

Molecular Formula:	C₁₁H₂₂N₂O₂	Molecular Weight:	214.304580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DJJOYDXRUBOZON-UHFFFAOYSA-N

• (1S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline

IUPAC Name: (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline | CAS Registry Number: 118864-75-8
Synonyms: (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline, (S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline, PubChem10575, SureCN325083, AC1LQT19, CTK0H9225, MolPort-019-903-601, ACN-S001505, ANW-17251, WTI-11265, ZINC19370042, AKOS015889792, AKOS016023743, AG-B-73743, AG-D-41388, AK-23529, BR-23529, KB-63454, Q247, AB1004635

Molecular Formula:	C₁₅H₁₅N	Molecular Weight:	209.286300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: PRTRSEDVLBBFJZ-HNNXBMFYSA-N

• 1,2,3,4-Tetrahydro-7-Methoxy-2-Naphthalenamine

IUPAC Name: 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride | CAS Registry Number: 4003-89-8
Synonyms: 2-Amino-7-methoxytetralin hydrochloride, 3880-78-2, 2-amino-7-methoxytetralin hcl, 7-methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine hydrochloride, 158223-16-6, AGN-PC-002FEO, SureCN3001108, CHEMBL559363, AKOS015995119, AG-C-24518, RP26775, 7-methoxy-2-aminotetralin hydrochloride, AK135417, KB-46439, KB-167324, TL8006503, 2-amino-1,2,3,4-tetrahydro-7-methoxynaphthalene hydrochloride, 7-methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine hcl salt, 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride, 2-Naphthalenamine, 1,2,3,4-tetrahydro-7-methoxy-, hydrochloride

Molecular Formula:	C₁₁H₁₆ClNO	Molecular Weight:	213.703840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: PMBXUCCIODNPGO-UHFFFAOYSA-N

• 2-(3-Benzoylphenyl)propionitrile

IUPAC Name: 2-[3-(benzoyl)phenyl]propanenitrile | CAS Registry Number: 42872-30-0
Synonyms: 2-(m-Benzoylphenyl)propionitrile, 196347_ALDRICH, EINECS 255-982-5, BRN 2844731, LS-29023, 24336 R.P, TL8007037, 24336 R.P., BENZENEACETONITRILE, 3-BENZOYL-alpha-METHYL-, Benzeneacetonitrile, 3-benzoyl-.alpha.-methyl-

Molecular Formula:	C₁₆H₁₃NO	Molecular Weight:	235.280520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: RGYOCHMZSLUCNP-UHFFFAOYSA-N

• 1-Indanone-6-Carboxylic Acid

IUPAC Name: 3-oxo-1,2-dihydroindene-5-carboxylic acid | CAS Registry Number: 60031-08-5
Synonyms: 1-Indanone-6-carboxylic acid, 3-Oxo-indan-5-carboxylic acid, 1-Indanone-6-carboxylicacid, SBB068262, AG-G-14530, 2,3-Dihydro-3-oxo-1H-indene-5-carboxylic acid, SureCN785704, 3-Oxoindane-5-carboxylic acid, CTK2F2785, MolPort-000-005-200, AKOS006228913, RP02970, AK-45338, KB-12632, 3-oxo-1,2-dihydroindene-5-carboxylic acid, AB1002844, A8404, FT-0084162, FT-0602249, W7273

Molecular Formula:	C₁₀H₈O₃	Molecular Weight:	176.168720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BIABIACQHKYEEB-UHFFFAOYSA-N

• 4-(tert-Butoxycarbonylaminomethyl)piperidine

IUPAC Name: tert-butyl N-(pyridin-4-ylmethyl)carbamate | CAS Registry Number: 135632-53-0
Synonyms: N-Boc-4-aminomethylpyridine, 649767_ALDRICH, ZINC00128559, CID1512532

Molecular Formula:	C₁₁H₁₆N₂O₂	Molecular Weight:	208.256940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: KXCFJDZVQLRYSI-UHFFFAOYSA-N

• (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane

IUPAC Name: 1-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-methylmethanamine;hydrochloride | CAS Registry Number: 866783-13-3
Synonyms: (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride, SureCN385259, CTK8B4485, MolPort-009-199-983, ANW-45256, AKOS015907626, AC-5503, RP28619, AK-44950, KB-00782, AB1008543, ST51054810, X0048, A20090, I14-2897, (1S)-4,5-Dimethoxy-1-(methylamino)methylbenzocyclobutane hydrochloride, (7S)-3,4-Dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-methanamine hydrochloride

Molecular Formula:	C₁₂H₁₈ClNO₂	Molecular Weight:	243.729820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: SWSAIQSQSDOONK-SBSPUUFOSA-N

• 1-Tetratin-Carboxylic Acid

IUPAC Name: 5,6,7,8-tetrahydronaphthalene-1-carboxylic acid | CAS Registry Number: 4242-18-6
Synonyms: Oprea1_084710, NSC44874, CID239604, 1-Naphthoic acid, 5,6,7,8-tetrahydro-, 1-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-, 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid, AE-562/12222884

Molecular Formula:	C₁₁H₁₂O₂	Molecular Weight:	176.211780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GCFQXKYHWFWGSB-UHFFFAOYSA-N

• 2'-Hydroxy-4'-Methoxyacetophenone

IUPAC Name: 1-(2-hydroxy-4-methoxyphenyl)ethanone | CAS Registry Number: 552-41-0
Synonyms: PAEONOL, Peonol, Paeonal, 4-O-Methylresacetophenone, 2'-Hydroxy-4'-methoxyacetophenone, Resacetophenone-4-methyl ether, Spectrum2_001981, Spectrum3_001686, 2-Acetyl-5-methoxy-phenol, 2-Hydroxy-4-methoxyacetophenone, CBiol_000986, BSPBio_003212, H35803_ALDRICH, SPECTRUM1601021, SPBio_002161, Resacetophenone, 4-O-methyl ester, Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-, 1-(2-Hydroxy-4-methoxyphenyl)ethanone, Acetophenone, 2'-hydroxy-4'-methoxy-, EINECS 209-012-2

Molecular Formula:	C₉H₁₀O₃	Molecular Weight:	166.173900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: UILPJVPSNHJFIK-UHFFFAOYSA-N

• (2b,3a,5a,16b,17b)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol

IUPAC Name: (2S,3S,10S,13S,16S,17R)-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol | CAS Registry Number: 119302-20-4
Synonyms: SureCN13621935, AND035, Androstane-3,17-diol, 2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, (2|A,3|A,5|A,16|A,17|A)-

Molecular Formula:	C₂₇H₄₆N₂O₃	Molecular Weight:	446.665740 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: YKHDYPFPUAWBIW-ZWZXXUDRSA-N

• (2b,3a,16b,17b)-2,16-Bispiperidino-3,17-diacetoxy-5-androstane

IUPAC Name: (3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate | CAS Registry Number: 119302-24-8
Synonyms: ACMC-20a1ob, AGN-PC-00AQRO, A804249, (10,13-dimethyl-2-morpholin-4-yl-3-oxidanyl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) ethanoate, [(2S,3S,5S,10S,13S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate, acetic acid [3-hydroxy-10,13-dimethyl-2-(4-morpholinyl)-16-(1-pyrrolidinyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester

Molecular Formula:	C₂₉H₄₈N₂O₄	Molecular Weight:	488.702420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: YBZSVMDKHBRYNB-UHFFFAOYSA-N

• (s)-2-Amino-1,2,3,4-Tetrahydro-7-Methoxynaphthalene

IUPAC Name: (2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine | CAS Registry Number: 121216-42-0
Synonyms: (s)-2-amino-1,2,3,4-tetrahydro-7-methoxynaphthalene, (S)-7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-amine, (S)-7-methoxy-1,2,3,4-tetrahydro-2-naphthylamine, SureCN268141, 2-Naphthalenamine,1,2,3,4-tetrahydro-7-methoxy-, (2S)-, CTK4B2241, MolPort-003-986-299, ANW-68884, SBB070221, AB06766, AG-D-46094, (S)-7-METHOXY-2-AMINOTETRALIN, AK-55467, KB-03887, TL8000559, FT-0659611, (S)-(-)-7-METHOXY 2-AMINOTETRALIN, I14-7181, I14-41148, (2S)-7-METHOXY-2-1,2,3,4-TETRAHYDRONAPHTHYLAMINE

Molecular Formula:	C₁₁H₁₅NO	Molecular Weight:	177.242900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZNWNWWLWFCCREO-JTQLQIEISA-N

• 3-(1-Cyanoethyl) Benzoic Acid (Ceba)

IUPAC Name: 3-(1-cyanoethyl)benzoic acid | CAS Registry Number: 5537-71-3
Synonyms: m-(1-Cyanoethyl)benzoic acid, 3-(1-Cyanoethyl)benzoic acid, 209805_ALDRICH, Benzoic acid, 3-(1-cyanoethyl)-, EINECS 226-897-0, NSC113992

Molecular Formula:	C₁₀H₉NO₂	Molecular Weight:	175.183960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: IRYIYPWRXROPSX-UHFFFAOYSA-N

• (S)-3-Aminoquinuclidine hydrochloride

IUPAC Name: (3S)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride | CAS Registry Number: 119904-90-4
Synonyms: (S)-3-Aminoquinuclidine dihydrochloride, (S)-(-)-3-Aminoquinuclidine dihydrochloride, SureCN222751, KSC498E6T, 415723_ALDRICH, CTK3J8269, MolPort-001-769-431, MolPort-016-582-186, ACT02255, ANW-52491, OR6142, RW2223, (S)-(-)-3-Aminoquinuclidine 2HCl, (S)-3-AMINOQUINUCLIDINE 2HCL, AKOS015897102, AC-1559, AG-B-75156, (S)-Quinuclidin-3-amine dihydrochloride, AK-32971, BR-32971

Molecular Formula:	C₇H₁₆Cl₂N₂	Molecular Weight:	199.121340 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: STZHBULOYDCZET-XCUBXKJBSA-N

• 1-N-Boc-3-Piperidone

IUPAC Name: tert-butyl 3-oxopiperidine-1-carboxylate | CAS Registry Number: 98977-36-7
Synonyms: 1-Boc-3-piperidone, 1-Boc-3-piperidinone, 650811_ALDRICH, ZINC04202422, ALBB-006250, CID2756825, tert-butyl 3-oxopiperidine-1-carboxylate, TL8006056

Molecular Formula:	C₁₀H₁₇NO₃	Molecular Weight:	199.246880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: RIFXIGDBUBXKEI-UHFFFAOYSA-N

• 5alpha-Androst-2-en-17-one

IUPAC Name: 10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one | CAS Registry Number: 963-75-7
Synonyms: 5.alpha.-Androst-2-en-17-one, Ba 2662, NSC44506, NSC80614, Androst-2-en-17-one, (5.alpha.)-, NRB 03822

Molecular Formula:	C₁₉H₂₈O	Molecular Weight:	272.425020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ISJVDMWNISUFRJ-UHFFFAOYSA-N

• 1,4a,5,7a-Tetrahydro-1-Hydroxy-7-(hydroxymethyl)-Cyclopenta(c)pyran-4-Carboxylic Acid Methyl Ester

IUPAC Name: methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate | CAS Registry Number: 6902-77-8
Synonyms: Genipin, CID442424, ZINC01681500, C09780

Molecular Formula:	C₁₁H₁₄O₅	Molecular Weight:	226.225860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: AZKVWQKMDGGDSV-BCMRRPTOSA-N

• 3-Fluoro-4-nitrophenol

IUPAC Name: 3-fluoro-4-nitrophenol | CAS Registry Number: 394-41-2
Synonyms: Phenol, 3-fluoro-4-nitro-, 184128_ALDRICH, EINECS 206-895-6, CID520948, SB 01916, InChI=1/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9

Molecular Formula:	C₆H₄FNO₃	Molecular Weight:	157.099263 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: CSSGKHVRDGATJL-UHFFFAOYSA-N

• 3-Ethoxycarbonylquinolizidine

IUPAC Name: ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate | CAS Registry Number: 19728-76-8
Synonyms: 76211-05-7, SureCN372350, CTK2G8051, AKOS015914670, AK-38345, Ethyl octahydro-2H-quinolizine-3-carboxylate, A813901, ETHYL OCTAHYDRO-1H-QUINOLIZINE-3-CARBOXYLATE, I14-41919, 2H-Quinolizine-3-carboxylic acid, octahydro-, ethyl ester, OCTAHYDRO-QUINOLIZINE-3-CARBOXYLIC ACID ETHYL ESTER, ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate, 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylic acid ethyl ester

Molecular Formula:	C₁₂H₂₁NO₂	Molecular Weight:	211.300640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ICWZXKPBSHGFEO-UHFFFAOYSA-N