AG00IECY

871115-54-7 | 1-Pyrrolidinecarboxylic acid, 3-amino-3-cyano-, 1,1-dimethylethyl ester

AG00IECY

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CAS Number	871115-54-7
Catalog Number	AG00IECY(AGN-PC-0BTV9V)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-amino-3-cyano-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-amino-3-cyanopyrrolidine-1-carboxylate
InChI	InChI=1S/C10H17N3O2/c1-9(2,3)15-8(14)13-5-4-10(12,6-11)7-13/h4-5,7,12H2,1-3H3
InChI Key	NFLVTBMZGLRSPT-UHFFFAOYSA-N
MDL Number	MFCD14582455
Molecular Formula	C10H17N3O2
Molecular Weight	211.2609
SMILES	NC1(CN(CC1)C(=O)OC(C)(C)C)C#N
Synonyms	tert-butyl 3-amino-3-cyanopyrrolidine-1-carboxylate, 871115-54-7, 1-Boc-3-Amino-3-cyanopyrrolidine, 1-Pyrrolidinecarboxylic acid, 3-amino-3-cyano-, 1,1-dimethylethyl ester, SCHEMBL5568341, DTXSID20726412, 3752AC, MFCD14582455, QC-852, AKOS016008727, CS-W000670, FCH1625515, KS-0000088A, AK110559, AS-51027, BBV-45001714, SC-53513, AX8232323, FT-0686232, tert-butyl 3-Amino-3-cyano-pyrrolidine-1-carboxylate, TERT-BUTYL 3-AMINO-3-CYANOPYRROLIDINE-1-CARBOXYLAT, C10H17N3O2,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.132g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.265g/mol
Monoisotopic Mass	211.132g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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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