AG000GFZ

1152113-30-8 | 1-Pyrrolidinecarboxylic acid, 3-amino-4-methyl-, 1,1-dimethylethyl ester, (3R,4S)-rel-

AG000GFZ

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CAS Number	1152113-30-8
Catalog Number	AG000GFZ(AGN-PC-0WCKNO)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-amino-4-methyl-, 1,1-dimethylethyl ester, (3R,4S)-rel-
IUPAC Name	tert-butyl (3R,4S)-3-amino-4-methylpyrrolidine-1-carboxylate
InChI	InChI=1S/C10H20N2O2/c1-7-5-12(6-8(7)11)9(13)14-10(2,3)4/h7-8H,5-6,11H2,1-4H3/t7-,8-/m0/s1
InChI Key	DUBXUUPBIKNFEA-YUMQZZPRSA-N
MDL Number	MFCD18375162
Molecular Formula	C10H20N2O2
Molecular Weight	200.2780
SMILES	O=C(N1C[C@H](N)[C@@H](C)C1)OC(C)(C)C
Synonyms	1290191-85-3, tert-butyl (3R,4S)-3-amino-4-methylpyrrolidine-1-carboxylate, (3R,4S)-1-Boc-3-amino-4-methylpyrrolidine, 1152113-30-8, (3R,4S)-rel-tert-Butyl 3-amino-4-methylpyrrolidine-1-carboxylate, tert-butyl trans-3-amino-4-methylpyrrolidine-1-carboxylate, SCHEMBL1190616, KS-000004KE, MFCD27987078, ZINC35571218, FCH3977581, SB11971, AJ-91626, AK171031, AS-39733, CS-0038570, 1-Boc-(3R,4S)-3-Amino-4-methylpyrrolidine, trans-1-boc-3-amino-4-methylpyrrolidine, (3R,4S)-tert-Butyl 3-amino-4-methylpyrrolidine-1-carboxylate,

Complexity	223
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	1
Isotope Atom Count	0
Molecular Weight	200.282g/mol
Monoisotopic Mass	200.152g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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