AG006XV0

50585-91-6 | 3-​Piperidinecarboxylic acid, 1-​(phenylmethyl)​-​, methyl ester

AG006XV0

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CAS Number	50585-91-6
Catalog Number	AG006XV0(AGN-PC-0MY2OV)
Chemical Name	3-​Piperidinecarboxylic acid, 1-​(phenylmethyl)​-​, methyl ester
IUPAC Name	methyl 1-benzylpiperidine-3-carboxylate
InChI	InChI=1S/C14H19NO2/c1-17-14(16)13-8-5-9-15(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChI Key	UWMYSVPWAUCMJY-UHFFFAOYSA-N
MDL Number	MFCD15146668
Molecular Formula	C14H19NO2
Molecular Weight	233.3062
SMILES	C(N1CC(C(=O)OC)CCC1)c1ccccc1
Synonyms	Methyl 1-benzylpiperidine-3-carboxylate, 50585-91-6, METHYL 1-BENZYL-PIPERIDINE-3-CARBOXYLATE, 3-Piperidinecarboxylic acid, 1-(phenylmethyl)-, methyl ester, CTK4J2823, DTXSID80434940, ANW-73965, MFCD15146668, AKOS015949538, CS-W001582, MCULE-7626435111, NE15873, RP07773, AK-96686, DS-18562, TC-162710, 4CH-024401, FT-0685230, ST24047557, Y9259, EN300-84150, 1-benzyl-piperidine-3-carboxylic acid methyl ester, J-521750, Z1070566434, C14H19NO2, Methyl1-benzylpiperidine-3-carboxylate, ACN-031058, CID10059878,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.142g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.311g/mol
Monoisotopic Mass	233.142g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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