AG00BZD0

324769-07-5 | 1-Boc-2-ethyl-piperidin-4-one

AG00BZD0

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CAS Number	324769-07-5
Catalog Number	AG00BZD0(AGN-PC-03S4X9)
Chemical Name	1-Boc-2-ethyl-piperidin-4-one
IUPAC Name	tert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate
InChI	InChI=1S/C12H21NO3/c1-5-9-8-10(14)6-7-13(9)11(15)16-12(2,3)4/h9H,5-8H2,1-4H3
InChI Key	GJZHXLNQQNAXNW-UHFFFAOYSA-N
MDL Number	MFCD07367729
Molecular Formula	C12H21NO3
Molecular Weight	227.3000
SMILES	CCC1CC(=O)CCN1C(=O)OC(C)(C)C
Synonyms	324769-07-5, 1-N-Boc-2-Ethylpiperidin-4-one, 1-boc-2-ethyl-piperidin-4-one, tert-Butyl 2-ethyl-4-oxopiperidine-1-carboxylate, 1-Boc-2-ethylpiperidin-4-one, AK-45294, W-202332, 2-ethyl-4-oxo-piperidine-1-carboxylic acid tert-butyl ester, MFCD07367729, SCHEMBL3941124, CTK4G8770, DTXSID90626192, GJZHXLNQQNAXNW-UHFFFAOYSA-N, ZX-AT002308, ANW-72266, CB-982, OR9062, SBB056056, AKOS016007621, FCH1625092, RL03165, SC-35737, 2-Ethyl-4-oxopiperidine, N-BOC protected, AB0048565, AX8056907, DB-068639, TC-161011, 4CH-005059, FT-0691766, ST24038143, tert-butyl 2-ethyl-4-oxopiperidinecarboxylate, Z-5369, 1-Piperidinecarboxylicacid, 2-ethyl-4-oxo-, 1,1-dimethylethyl ester,

Complexity	281
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.152g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.304g/mol
Monoisotopic Mass	227.152g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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