AG0034TX

72551-53-2 | ETHYL 1-BENZYLPIPERIDINE-3-CARBOXYLATE

AG0034TX

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CAS Number	72551-53-2
Catalog Number	AG0034TX(AGN-PC-0JW2IY)
Chemical Name	ETHYL 1-BENZYLPIPERIDINE-3-CARBOXYLATE
IUPAC Name	ethyl 1-benzylpiperidine-3-carboxylate
InChI	InChI=1S/C15H21NO2/c1-2-18-15(17)14-9-6-10-16(12-14)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChI Key	CDMAVYOAEITWFQ-UHFFFAOYSA-N
MDL Number	MFCD00191221
Molecular Formula	C15H21NO2
Molecular Weight	247.3327
SMILES	C(C1=CC=CC=C1)N1CC(CCC1)C(=O)OCC
Synonyms	ethyl 1-benzylpiperidine-3-carboxylate, 72551-53-2, Ethyl1-benzylpiperidine-3-carboxylate, 1-Benzyl-piperidine-3-carboxylic acid ethyl ester, 1-benzylpiperidine-3-carboxylic acid ethyl ester, ethyl 1-benzyl-3-piperidinecarboxylate, 3-Piperidinecarboxylic acid, 1-(phenylmethyl)-, ethyl ester, BAS 01313097, ACMC-209onk, AC1MC5FR, ChemDiv3_001347, Oprea1_203182, Oprea1_523029, SCHEMBL1946258, CTK2H6855, KS-00000AKL, DTXSID50371313, CDMAVYOAEITWFQ-UHFFFAOYSA-N, HMS1476N05, ANW-36222, KM1487, MFCD00191221, SBB058948, STK283924, AKOS000547272, AKOS016843127, MCULE-2896948958, PS-5854, TRA0007250, VP80206, IDI1_020313, NCGC00172753-01, AK-87677, SC-22766, SY018282, AB0056041, DB-055652, TC-124967, FT-0641413, ST50008650, V7495, ethyl 1-(phenylmethyl)piperidine-3-carboxylate, AB00077186-01, MFCD00191221 (97+%), A837563, SR-01000425484, SR-01000425484-1, BRD-A85125268-001-01-5, 1-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester, 3-Piperidinecarboxylicacid,1-(phenylmethyl)-,ethyl ester, C15H21NO2, CID2736370, 1-(9H-Fluoren-9-yl)-3-oxo-2,7,10,13,16-pentaoxa-4-azanonadecan-19-oic acid,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.157g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.338g/mol
Monoisotopic Mass	247.157g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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