AG001I2G

142253-46-1 | 3-CYANOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

AG001I2G

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CAS Number	142253-46-1
Catalog Number	AG001I2G(AGN-PC-00FSU1)
Chemical Name	3-CYANOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
IUPAC Name	tert-butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate
InChI	InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-9(8-13)4-6-12/h9H,4-5,7-8H2,1-3H3
InChI Key	IPLBXZOFLWOERN-UHFFFAOYSA-N
MDL Number	MFCD06738464
Molecular Formula	C11H18N2O2
Molecular Weight	210.2728
SMILES	CC(C)(C)OC(=O)N1CCC(CC#N)C1
Synonyms	142253-46-1, 1-Boc-3-(cyanomethyl)pyrrolidine, tert-butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate, 3-CYANOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, EN300-70391, AC1Q1MZC, SCHEMBL1773253, CTK4C3008, DTXSID50679043, 6944AA, ANW-66421, MFCD06738464, AKOS015996210, AB27162, FCH1618879, MCULE-4772521772, AK-49390, AS-43157, BBV-44994628, SC-65618, SY029750, AX8027515, DB-063426, TC-155166, BB 0260560, FT-0745853, MFCD06738464 (95%), Z-7018, A807876, J-007624, 1-Pyrrolidinecarboxylic acid, 3-(cyanomethyl)-, 1,, Z1250100650, 3-(cyanomethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester, C11H18N2O2, (R)-tert-Butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate, (S)-TERT-BUTYL 3-(CYANOMETHYL)PYRROLIDINE-1-CARBOXYLATE, 1187931-76-5, 3-CYANOMETHYL-PYRROLIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER, 274692-07-8,

Complexity	285
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	3
Topological Polar Surface Area	53.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

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