AG003O4G

570423-97-1 | 1-Benzyl-pyrrolidine-3-carboxylic acid benzyl ester

AG003O4G

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CAS Number	570423-97-1
Catalog Number	AG003O4G(AGN-PC-0OCHR6)
Chemical Name	1-Benzyl-pyrrolidine-3-carboxylic acid benzyl ester
IUPAC Name	benzyl 1-benzylpyrrolidine-3-carboxylate
InChI	InChI=1S/C19H21NO2/c21-19(22-15-17-9-5-2-6-10-17)18-11-12-20(14-18)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2
InChI Key	LUEPOWKKYXJBSY-UHFFFAOYSA-N
MDL Number	MFCD13190633
Molecular Formula	C19H21NO2
Molecular Weight	295.3755
SMILES	O=C(C1CN(CC2=CC=CC=C2)CC1)OCC3=CC=CC=C3
Synonyms	Benzyl N-Benzylpyrrolidine-3-carboxylate, 570423-97-1, Benzyl 1-benzylpyrrolidine-3-carboxylate, 1-BENZYL-PYRROLIDINE-3-CARBOXYLIC ACID BENZYL ESTER, 3-Pyrrolidinecarboxylic acid, 1-(phenylmethyl)-, phenylmethyl ester, LUEPOWKKYXJBSY-UHFFFAOYSA-N, 6541AJ, KM0065, MFCD13190633, AKOS022184121, FCH2811202, TRA0059102, CS-11413, DA-19013, SY019796, AX8269053, TC-308075, FT-0754074, MFCD13190633 (97+%), (R/S)-1-Benzyl-pyrrolidin-3-yl carboxylic acid, benzyl ester, C19H21NO2, 66913-97-1,

Complexity	345
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.157g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	295.382g/mol
Monoisotopic Mass	295.157g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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