AG002QED

25070-74-0 | 1-PYRROLIDINECARBOXYLIC ACID, PHENYLMETHYL ESTER

AG002QED

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CAS Number	25070-74-0
Catalog Number	AG002QED(AGN-PC-0N7GBL)
Chemical Name	1-PYRROLIDINECARBOXYLIC ACID, PHENYLMETHYL ESTER
IUPAC Name	benzyl pyrrolidine-1-carboxylate
InChI	InChI=1S/C12H15NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChI Key	VALPXRNQZYGXPS-UHFFFAOYSA-N
MDL Number	MFCD18206031
Molecular Formula	C12H15NO2
Molecular Weight	205.2530
SMILES	O=C(N1CCCC1)OCC2=CC=CC=C2
Synonyms	1-Cbz-pyrrolidine, 25070-74-0, Benzyl Pyrrolidine-1-carboxylate, 1-Pyrrolidinecarboxylic acid, phenylmethyl ester, N-benzyloxycarbonyl pyrrolidine, N-Cbz-pyrrolidine, ACMC-20dkw3, n-benzyloxycarbonylpyrrolidine, n-benzyloxycarbonyl-pyrrolidine, SCHEMBL1000788, 1-(Benzyloxycarbonyl)pyrrolidine, CTK0J4406, DTXSID70442413, VALPXRNQZYGXPS-UHFFFAOYSA-N, 5111AJ, MFCD18206031, ZINC39075511, AKOS015854221, RP26178, RTR-036260, TRA0119282, KS-000001Q6, AJ-97985, BC600064, CJ-19713, CS-11475, SY022060, Pyrrolidine-1-carboxylic acid benzyl ester, TR-036260, ST24046127, Z-4669, MFCD18206031 (97+%), J-505123, C12H15NO2, CID10608307, 900512-41-6,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.11g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.257g/mol
Monoisotopic Mass	205.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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