AG000HBC

1159822-27-1 | benzyl 3-aminopyrrolidine-1-carboxylate, HCl

AG000HBC

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CAS Number	1159822-27-1
Catalog Number	AG000HBC(AGN-PC-030APG)
Chemical Name	benzyl 3-aminopyrrolidine-1-carboxylate, HCl
IUPAC Name	benzyl 3-aminopyrrolidine-1-carboxylate;hydrochloride
InChI	InChI=1S/C12H16N2O2.ClH/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H
InChI Key	QNQVBYGRFHOBNO-UHFFFAOYSA-N
MDL Number	MFCD09955427
Molecular Formula	C12H17ClN2O2
Molecular Weight	256.7286
SMILES	O=C(N1CC(N)CC1)OCC2=CC=CC=C2.[H]Cl
Synonyms	1159822-27-1, benzyl 3-aminopyrrolidine-1-carboxylate hydrochloride, 1-Cbz-3-aminopyrrolidine hydrochloride, 3-Aminopyrrolidine-1-carboxylic acid benzyl ester hydrochloride, C12H17ClN2O2, 1-Cbz-3-Aminopyrrolidine HCl, AK-26375, AK-38976, PubChem11200, ACMC-209lkp, 3-AMINO-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER-HCl, KSC915A3D, N-Cbz-3-Aminopyrrolidine HCl, SCHEMBL6175666, CTK8B5031, KS-00000YWQ, ACT01723, ANW-47114, MFCD09955427, AKOS015919557, TRA0075517, TRA0077678, VP60252, AK-51588, AS-18179, BR-47387, SY006833, AB0000672, AX8014130, AX8214718, ST2401953, TC-135859, 4CH-017877, 4CH-019387, W4001, benzyl 3-aminopyrrolidine-1-carboxylate, HCl, B-1910, MFCD09038802 (97+%), 3-AMINO-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER hydrochloride, 1-Pyrrolidinecarboxylic acid, 3-amino-, phenylmethyl ester, hydrochloride (1:1), 1-cbz-3-amino pyrrolidine, (S)-1-Cbz-3-Aminopyrrolidine hydrochloride, (R)-1-Cbz-3-Aminopyrrolidine hydrochloride, Benzyl 3-aminopyrrolidine-1-carboxylate, 185057-50-5, (R)-3-AMINO-1-CBZ-PYRROLIDINE, 550378-39-7, (S)-3-Amino-1-N-Cbz-pyrrolidine hydrochloride, Benzyl3-aminopyrrolidine-1-carboxylatehydrochloride, 870621-17-3, 122536-73-6,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.098g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	256.73g/mol
Monoisotopic Mass	256.098g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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