AG000JLG

1228537-69-6 | 1-Boc-3-cyano-3-methylpyrrolidine

AG000JLG

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CAS Number	1228537-69-6
Catalog Number	AG000JLG(AGN-PC-0WBRJ3)
Chemical Name	1-Boc-3-cyano-3-methylpyrrolidine
IUPAC Name	tert-butyl 3-cyano-3-methylpyrrolidine-1-carboxylate
InChI	InChI=1S/C11H18N2O2/c1-10(2,3)15-9(14)13-6-5-11(4,7-12)8-13/h5-6,8H2,1-4H3
InChI Key	IEDZZHAVRBUGQQ-UHFFFAOYSA-N
MDL Number	MFCD26406713
Molecular Formula	C11H18N2O2
Molecular Weight	210.2728
SMILES	O=C(N1CC(C)(C#N)CC1)OC(C)(C)C
Synonyms	1228537-69-6, tert-butyl 3-cyano-3-methylpyrrolidine-1-carboxylate, 1-BOC-3-CYANO-3-METHYLPYRROLIDINE, SCHEMBL2377946, DTXSID50726985, IEDZZHAVRBUGQQ-UHFFFAOYSA-N, MFCD26406713, AKOS025290958, SB11617, AS-36291, AB0074810, CS-0048304, X-2256, tert-Butyl 3-cyano-3-methyl-pyrrolidine-1-carboxylate, 1-Pyrrolidinecarboxylic acid, 3-cyano-3-methyl-, 1,1-dimethylethyl ester,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.137g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.277g/mol
Monoisotopic Mass	210.137g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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