AG00GZP5

936850-09-8 | 3-Cyano-3-methyl-azetidine-1-carboxylic acid tert-butyl ester

AG00GZP5

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CAS Number	936850-09-8
Catalog Number	AG00GZP5(AGN-PC-0WA4CX)
Chemical Name	3-Cyano-3-methyl-azetidine-1-carboxylic acid tert-butyl ester
IUPAC Name	tert-butyl 3-cyano-3-methylazetidine-1-carboxylate
InChI	InChI=1S/C10H16N2O2/c1-9(2,3)14-8(13)12-6-10(4,5-11)7-12/h6-7H2,1-4H3
InChI Key	KRXUECUCCJEQAJ-UHFFFAOYSA-N
MDL Number	MFCD17016128
Molecular Formula	C10H16N2O2
Molecular Weight	196.2462
SMILES	CC(OC(N1CC(C#N)(C)C1)=O)(C)C
Synonyms	936850-09-8, TERT-BUTYL 3-CYANO-3-METHYLAZETIDINE-1-CARBOXYLATE, 1-BOC-3-CYANO-3-METHYLAZETIDINE, 3-Cyano-3-methyl-azetidine-1-carboxylic acid tert-butyl ester, SCHEMBL1706650, DTXSID70719278, KRXUECUCCJEQAJ-UHFFFAOYSA-N, MFCD17016128, STL429820, ZINC79016922, AKOS025146556, PB25630, AS-36271, DA-40353, SC-53738, AB0074782, CS-0048305, FT-0737657, 1-Boc-3-cyano-3-methylazetidine, AldrichCPR, Q-1923, 3-Cyano-3-methyl-azetidine-1-carboxylic acid tert-, tert-Butyl 3-cyano-3-methyl-azetidine-1-carboxylate,

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.121g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.25g/mol
Monoisotopic Mass	196.121g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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