AG008S0X

117565-57-8 | 1-BOC-3-ETHYL-PIPERIDIN-4-ONE

AG008S0X

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CAS Number	117565-57-8
Catalog Number	AG008S0X(AGN-PC-03N951)
Chemical Name	1-BOC-3-ETHYL-PIPERIDIN-4-ONE
IUPAC Name	tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate
InChI	InChI=1S/C12H21NO3/c1-5-9-8-13(7-6-10(9)14)11(15)16-12(2,3)4/h9H,5-8H2,1-4H3
InChI Key	HGJKZGGZDSJORL-UHFFFAOYSA-N
MDL Number	MFCD00000610
Molecular Formula	C12H21NO3
Molecular Weight	227.3000
SMILES	O=C(N1CC(CC)C(CC1)=O)OC(C)(C)C
Synonyms	117565-57-8, tert-Butyl 3-ethyl-4-oxopiperidine-1-carboxylate, 1-BOC-3-ETHYL-PIPERIDIN-4-ONE, 3-ETHYL-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, 1-Boc-3-ethyl-4-piperidinone, 1-Piperidinecarboxylicacid, 3-ethyl-4-oxo-, 1,1-dimethylethyl ester, 1-PIPERIDINECARBOXYLIC ACID, 3-ETHYL-4-OXO-, 1,1-DIMETHYLETHYL ESTER, ACMC-20mn9o, SCHEMBL656014, CTK4B0330, DTXSID00624245, HGJKZGGZDSJORL-UHFFFAOYSA-N, MFCD08460961, AKOS015904251, DS-4827, RL00657, AK117144, SC-35596, DB-061033, CS-0061469, FT-0739091, N-tert.-butoxycarbonyl-3-ethyl-4-piperidone, X6496, t-Butyl 3-ethyl-4-oxopiperidine-1-carboxylate, Z-4939, J-524536, I14-16906, C12H21NO3, CB11151, tert-Butyl3-ethyl-4-oxopiperidine-1-carboxylate,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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