AG003UIS

99735-30-5 | tert-Butyl (1-benzylpyrrolidin-3-yl)carbamate

AG003UIS

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CAS Number	99735-30-5
Catalog Number	AG003UIS(AGN-PC-0KWQM7)
Chemical Name	tert-Butyl (1-benzylpyrrolidin-3-yl)carbamate
IUPAC Name	tert-butyl N-(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)
InChI Key	PHOIDJGLYWEUEK-UHFFFAOYSA-N
MDL Number	MFCD00059039
Molecular Formula	C16H24N2O2
Molecular Weight	276.3740
SMILES	CC(C)(C)OC(=O)NC1CCN(CC2=CC=CC=C2)C1
Synonyms	99735-30-5, tert-Butyl (1-benzylpyrrolidin-3-yl)carbamate, 1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine, Tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate, 1-Benzyl-3-(Boc-amino)pyrrolidine, Tert-butyl 1-benzylpyrrolidin-3-ylcarbamate, 1-BENZYL-3-N-BOC-AMINOPYRROLIDINE, (S)-tert-butyl 1-benzylpyrrolidin-3-ylcarbamate, PubChem11301, ACMC-1CACQ, ACMC-209bo3, SCHEMBL2241423, CTK5I0637, DTXSID20912515, PHOIDJGLYWEUEK-UHFFFAOYSA-N, HT715, ACT10754, BCP27219, KS-00000M4U, ANW-41059, AKOS009158924, DL-0075, TRA0079014, TRA-0203789, t-butyl-1-benzylpyrrolidin-3-ylcarbamate, AK-47812, AK-77304, AB0007867, DB-012495, DB-023536, TR-030479, 4CH-017992, 4CH-021881, AM20050039, FT-0601763, ST24049457, Z3329, 735B305, A846073, tert-butyl N-[1-(phenylmethyl)pyrrolidin-3-yl]carbamate, N-Benzyl-3-((1,1-dimethylethoxycarbonyl)amino)pyrrolidine, tert-Butyl hydrogen (1-benzylpyrrolidin-3-yl)carbonimidate, 1,1-dimethylethyl [1-(phenylmethyl)-3-pyrrolidinyl]carbamate, N-[1-(phenylmethyl)-3-pyrrolidinyl]carbamic acid tert-butyl ester, 131852-53-4 (1-Benzyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester, AC1MRYJM, Ethoxylated polyarylphenol, (R)-1-Benzyl-3-(Boc-amino)pyrrolidine, C16H24N2O2, (S)-tert-Butyl (1-benzylpyrrolidin-3-yl)carbamate, CID3575823, (R)-tert-Butyl (1-benzylpyrrolidin-3-yl)carbamate, (S)-1-Benzyl-3-N-Boc-amino-pyrrolidine, AN-32259, AN-34457, A2774, B1357, (R)-(+)-1-Benzyl-3-(Boc-amino)pyrrolidine, 131852-53-4, 131878-23-4, Polyethylene glycol mono(tristyrylphenyl)ether, B80103, I01-7897, I06-1595, (3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine, tert-butyl N-[(3S)-1-benzylpyrrolidin-3-yl]carbamate, carbamic acid,n-[1-(phenylmethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.183778g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	276.37g/mol
Monoisotopic Mass	276.183778g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	41.6Ų
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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