AG00DI5Z

473838-66-3 | Benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate

AG00DI5Z

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CAS Number	473838-66-3
Catalog Number	AG00DI5Z(AGN-PC-03N93X)
Chemical Name	Benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate
IUPAC Name	benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate
InChI	InChI=1S/C15H19NO3/c1-15(2)11-16(9-8-13(15)17)14(18)19-10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChI Key	QHCSLEQTUOGKAJ-UHFFFAOYSA-N
MDL Number	MFCD11044473
Molecular Formula	C15H19NO3
Molecular Weight	261.3163
SMILES	O=C(N1CC(C)(C)C(CC1)=O)OCC2=CC=CC=C2
Synonyms	473838-66-3, benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate, 1-Cbz-3,3-dimethyl-4-oxo-piperidine, 3,3-DIMETHYL-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER, AK166963, 1-Piperidinecarboxylic acid, 3,3-dimethyl-4-oxo-, phenylmethyl ester, SCHEMBL3183005, CTK4I9930, DTXSID80624243, QHCSLEQTUOGKAJ-UHFFFAOYSA-N, KS-000004HG, MFCD11044473, ZINC164362763, FCH2835658, SB11753, AS-34005, SC-29288, ST1251315, CS-0049850, FT-0743987, 1-Benzyloxycarbonyl-3,3-dimethyl-4-piperidone, 1-Cbz-3,3-dimethyl-4-oxo-piperidine, AldrichCPR, 3,3-DIMETHYL-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID BE, 3,3-DIMETHYL-4-OXO-PIPERIDINE-1-CARBOXYLICACIDBENZYLESTER,

Complexity	345
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.136g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	261.321g/mol
Monoisotopic Mass	261.136g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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