AG000WRM

127199-54-6 | (3S,4S)-(4-Methyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester

AG000WRM

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CAS Number	127199-54-6
Catalog Number	AG000WRM(AGN-PC-0PIHWU)
Chemical Name	(3S,4S)-(4-Methyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester
IUPAC Name	tert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate
InChI	InChI=1S/C10H20N2O2/c1-7-5-11-6-8(7)12-9(13)14-10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m0/s1
InChI Key	BKITXDSDJGOXPN-JGVFFNPUSA-N
MDL Number	MFCD18432662
Molecular Formula	C10H20N2O2
Molecular Weight	200.2780
SMILES	O=C(OC(C)(C)C)N[C@@H]1CNC[C@@H]1C
Synonyms	127199-54-6, (3S,4S)-3-(Boc-amino)-4-methylpyrrolidine, TERT-BUTYL (3S,4S)-4-METHYLPYRROLIDIN-3-YLCARBAMATE, (3S,4S)-(4-Methyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester, tert-Butyl ((3S,4S)-4-methylpyrrolidin-3-yl)carbamate, 107610-69-5, AK167380, SCHEMBL2181309, BKITXDSDJGOXPN-JGVFFNPUSA-N, 8704AH, MFCD18432662, ZINC23508779, AKOS025290460, CS-W003902, FCH3993341, SB15592, AC-29459, AJ-81742, AS-30225, SC-91911, SY028928, AB0070517, J1126, cis-3-t-Butoxycarbonylamino-4-methylpyrrolidine, Tert-butyl cis-4-methylpyrrolidin-3-ylcarbamate, Z-3813, tert-butyl (3S,4S)-4-Methylpyrrolidin-3-ylcarbaMat, (3S,4S)-3-(tert-butoxycarbonyl)amino-4-methylpyrrolidine, cis-3-(1,1-dimethylethoxycarbonylamino)-4-methylpyrrolidine, (4beta-Methyl-3beta-pyrrolidinyl)carbamic acid tert-butyl ester, TERT-BUTYL N-[(3S,4S)-4-METHYLPYRROLIDIN-3-YL]CARBAMATE, [(3S,4S)-4-Methyl-3-pyrrolidinyl]carbamic acid 1,1-dimethylethyl ester, Carbamic acid, [(3S,4S)-4-methyl-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI), C10H20N2O2, cis-3-n-boc-amino-4-methylpyrrolidine, CID11138119, A8900, Tert-butyl N-[(3R,4S)-4-methylpyrrolidin-3-yl]carbamate,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	200.152g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	200.282g/mol
Monoisotopic Mass	200.152g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

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