AG000ZUN

131878-23-4 | Carbamic acid, N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester

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CAS Number	131878-23-4
Catalog Number	AG000ZUN(AGN-PC-0PJLOB)
Chemical Name	Carbamic acid, N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
InChI	InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m1/s1
InChI Key	PHOIDJGLYWEUEK-CQSZACIVSA-N
MDL Number	MFCD01321148
Molecular Formula	C16H24N2O2
Molecular Weight	276.3740
SMILES	O=C(OC(C)(C)C)N[C@H]1CN(CC2=CC=CC=C2)CC1
Synonyms	131878-23-4, (R)-tert-Butyl (1-benzylpyrrolidin-3-yl)carbamate, (3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine, (R)-(+)-1-Benzyl-3-(Boc-amino)pyrrolidine, (R)-1-Benzyl-3-N-Boc-amino-pyrrolidine, (R)-1-Benzyl-3-(Boc-amino)pyrrolidine, tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate, (R)-tert-butyl 1-benzylpyrrolidin-3-ylcarbamate, tert-butyl (r)-1-benzylpyrrolidin-3-ylcarbamate, MFCD01321148, PubChem11299, (S)-tert-butyl 1-benzylpyrrolidin-3-ylcarbamate, SCHEMBL178929, tert-Butyl [(3R)-1-benzylpyrrolidin-3-yl]carbamate, Jsp001928, CTK3J7111, KS-00000LHH, DTXSID40437770, PHOIDJGLYWEUEK-CQSZACIVSA-N, ACT08172, ZINC2169559, ANW-19393, (r)-1-benzyl-3-boc-aminopyrrolidine, AKOS005146082, AKOS015839150, AB09049, CB-3060, DS-1375, RTR-004378, (R)-1-Benzyl-3-N-Boc-aminopyrrolidine, AJ-33984, BR-47812, SC-23312, AB0004983, ST2414504, TR-004378, A2776, FT-0660541, X9814, B80104, S-2125, Q-102161, (3R)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine, (R)-(+)-1-Benzyl-3-(Boc-amino)pyrrolidine, 97%, (r)-1-benzyl-3-(tert-butoxycarbonylamino)pyrrolidine, (R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine, (3r)-(+)-1-benzyl-3-(tert-butoxycarbonylamino) pyrrolidine, N-benzyl-3-(R)-((1,1-dimethylethoxycarbonyl)amino)pyrrolidine, Carbamic acid, N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester, Carbamic acid,N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-,1,1-dimethylethyl ester, C16H24N2O2, - -1-BENZYL-3- PYRROLIDINE, CB10657, CID10286119, B1932, Tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate, (R)-( )-1-Benzyl-3-(Boc-amino)pyrrolidine, 97% - 1G 1g, 99735-30-5,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	276.184g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	276.38g/mol
Monoisotopic Mass	276.184g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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