AG000L04

123730-67-6 | 4-Piperidinecarboxylic acid, 4-cyano-1-(phenylmethyl)-, ethyl ester

AG000L04

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CAS Number	123730-67-6
Catalog Number	AG000L04(AGN-PC-000Z3S)
Chemical Name	4-Piperidinecarboxylic acid, 4-cyano-1-(phenylmethyl)-, ethyl ester
IUPAC Name	ethyl 1-benzyl-4-cyanopiperidine-4-carboxylate
InChI	InChI=1S/C16H20N2O2/c1-2-20-15(19)16(13-17)8-10-18(11-9-16)12-14-6-4-3-5-7-14/h3-7H,2,8-12H2,1H3
InChI Key	FPMGPVRBKDTWFD-UHFFFAOYSA-N
MDL Number	MFCD09999241
Molecular Formula	C16H20N2O2
Molecular Weight	272.3422
SMILES	C(C)OC(=O)C1(CCN(CC1)CC2=CC=CC=C2)C#N
Synonyms	123730-67-6, ethyl 1-benzyl-4-cyanopiperidine-4-carboxylate, 1-BENZYL-4-CYANO-4-PIPERIDINECARBOXYLIC ACID ETHYL ESTER, AK-24678, 4-Piperidinecarboxylicacid, 4-cyano-1-(phenylmethyl)-, ethyl ester, ACMC-20a10s, SCHEMBL9234511, CTK4B3606, DTXSID50558581, KS-000024JX, ANW-52250, MFCD09999241, ZINC34266025, AKOS015838786, DS-0387, AJ-87712, AM803063, BR-24678, SC-32305, AB0035270, AX8056765, DB-062179, ST2419279, TR-003713, 4CH-014483, CS-0038906, FT-0645769, X9571, S-6769, 1-BENZYL-4-CYANO-4-PIPERIDINECARBOXYLIC ACID ETHYL, 1-Benzyl-4-cyano-piperidine-4-carboxylic acid ethyl ester, 4-Piperidinecarboxylic acid, 4-cyano-1-(phenylmethyl)-, ethyl ester, C16H20N2O2,

Complexity	371
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.152g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	272.348g/mol
Monoisotopic Mass	272.152g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	53.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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