AG000P2R

119020-06-3 | 1-Pyrrolidinecarboxylic acid, 2-cyano-, phenylmethyl ester

AG000P2R

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CAS Number	119020-06-3
Catalog Number	AG000P2R(AGN-PC-002N08)
Chemical Name	1-Pyrrolidinecarboxylic acid, 2-cyano-, phenylmethyl ester
IUPAC Name	benzyl 2-cyanopyrrolidine-1-carboxylate
InChI	InChI=1S/C13H14N2O2/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-8,10H2
InChI Key	AUVGQGIWVNDVSL-UHFFFAOYSA-N
MDL Number	MFCD04115334
Molecular Formula	C13H14N2O2
Molecular Weight	230.2625
SMILES	O=C(N1C(C#N)CCC1)OCC2=CC=CC=C2
Synonyms	119020-06-3, 1-Cbz-2-cyanopyrrolidine, 1-N-CBZ-2-CYANOPYRROLIDINE, benzyl 2-cyanopyrrolidine-1-carboxylate, 1-Z-2-cyanopyrrolidine, 1-Pyrrolidinecarboxylic acid, 2-cyano-, phenylmethyl ester, 2-CYANO-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER, ACMC-1B7EI, 1-N-Cbz-2-cycanopyrrolidine, SCHEMBL1437422, CTK4B1015, DTXSID70564326, AUVGQGIWVNDVSL-UHFFFAOYSA-N, KS-00000EK0, AB1316, ANW-17267, MFCD04115334, AKOS015912258, FCH2718046, TRA0065321, ACM119020063, CS-11942, SY033856, AX8027278, DB-061469, RT-006445, BB 0260942, C3037, FT-0716003, Z8063, MFCD04115334 (95%), (phenylmethyl) 2-cyanopyrrolidine-1-carboxylate, K-1349, A804152, J-004055, I14-35796, 1-Pyrrolidinecarboxylicacid, 2-cyano-, phenylmethyl ester, 2-cyano-1-pyrrolidinecarboxylic acid (phenylmethyl) ester, (r)-1-cbz-2-cyanopyrrolidine, (s)-1-n-cbz-2-cyanopyrrolidine, C13H14N2O2, 620601-77-6, 63808-36-6,

Complexity	315
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.106g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.267g/mol
Monoisotopic Mass	230.106g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	53.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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