AG000P2T

119020-03-0 | 1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-, phenylmethyl ester

AG000P2T

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CAS Number	119020-03-0
Catalog Number	AG000P2T(AGN-PC-0KKL3D)
Chemical Name	1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-, phenylmethyl ester
IUPAC Name	benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate
InChI	InChI=1S/C13H18N2O2/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2
InChI Key	NQGRCKNDDGCZPV-UHFFFAOYSA-N
MDL Number	MFCD12962941
Molecular Formula	C13H18N2O2
Molecular Weight	234.2942
SMILES	O=C(N1C(CN)CCC1)OCC2=CC=CC=C2
Synonyms	119020-03-0, Benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate, 2-Aminomethyl-pyrrolidine-1-carboxylic acid benzyl ester, 1-CBZ-2-AMINOMETHYL PYRROLIDINE, 1-Cbz-2-aminomethylpyrrolidine, 2-(Aminomethyl)-1-Cbz-pyrrolidine, 1-N-CBZ-2-(AMINOMETHYL)PYRROLIDINE, AK-40806, AC1NFR3J, (r)-benzyl-2-(aminomethyl)pyrrolidine-1-carboxylate, ACMC-209a10, SCHEMBL9202585, CTK8G6560, KS-00000GZ4, AB1313, MFCD06658394, AKOS016000642, AM91071, VP60205, AK-48671, DS-14816, SY020402, DB-022607, ST2406669, 4CH-009088, 4CH-018008, 4CH-018051, MFCD06658394 (95%), A13602, (S)-1-Cbz-2-(aminomethyl)pyrrolidine,99%e.e., 020C030, A807809, I01-2230, (phenylmethyl) 2-(aminomethyl)pyrrolidine-1-carboxylate, 1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-, phenylmethyl ester, 2-(aminomethyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester, 2-aminomethyl-pyrrolidine-1-carboxylic acid benzyl ester, AldrichCPR, lic acid benzyl ester, 2-Aminomethyl-pyrrolidine-1-carboxy, (r)-benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate, (S)-benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate, CID4712622, (R)-2-Aminomethyl-1-N-Cbz-pyrrolidine, (S)-2-(AMINOMETHYL)-1-CBZ-PYRROLIDINE, 1187931-23-2, 141774-68-7, benzyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate, N/A,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.137g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.299g/mol
Monoisotopic Mass	234.137g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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