AG00922V

1092352-11-8 | 1-Boc-2-(cyanoMethyl)pyrrolidine

AG00922V

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CAS Number	1092352-11-8
Catalog Number	AG00922V(AGN-PC-01N9G1)
Chemical Name	1-Boc-2-(cyanoMethyl)pyrrolidine
IUPAC Name	tert-butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate
InChI	InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h9H,4-6,8H2,1-3H3
InChI Key	GSNDDHMLFYORQI-UHFFFAOYSA-N
MDL Number	MFCD12912059
Molecular Formula	C11H18N2O2
Molecular Weight	210.2728
SMILES	O=C(N1C(CC#N)CCC1)OC(C)(C)C
Synonyms	tert-butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate, 1092352-11-8, 1-BOC-2-(CYANOMETHYL)PYRROLIDINE, (S)-1-BOC-2-(CYANOMETHYL)PYRROLIDINE, AK101254, N-Boc-2-cyanomethylpyrrolidine, SCHEMBL4093254, N-Boc-2-cyanomethyl-pyrrolidine, GSNDDHMLFYORQI-UHFFFAOYSA-N, ACT07259, MFCD12912059, AKOS015841638, FCH1618153, AS-36628, DA-17523, SC-48962, AB0061617, AX8266697, FT-0760875, EN300-50914, X-3335, A807877, 2-(cyanomethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester, (R)-tert-butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate, 142253-50-7, (S)-TERT-BUTYL 2-(CYANOMETHYL)PYRROLIDINE-1-CARBOXYLATE, tert-butyl (2R)-2-(cyanomethyl)pyrrolidine-1-carboxylate, Tert-butyl (2S)-2-(cyanomethyl)pyrrolidine-1-carboxylate, 201039-13-6,

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	1.4

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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