AG003A65

191805-29-5 | tert-Butyl 1-oxo-8-azaspiro[4.5]decane-8-carboxylate

AG003A65

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CAS Number	191805-29-5
Catalog Number	AG003A65(AGN-PC-0QKR6Y)
Chemical Name	tert-Butyl 1-oxo-8-azaspiro[4.5]decane-8-carboxylate
IUPAC Name	tert-butyl 4-oxo-8-azaspiro[4.5]decane-8-carboxylate
InChI	InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-9-7-14(8-10-15)6-4-5-11(14)16/h4-10H2,1-3H3
InChI Key	VFNVAGFIJXCMPA-UHFFFAOYSA-N
MDL Number	MFCD18074085
Molecular Formula	C14H23NO3
Molecular Weight	253.3373
SMILES	O=C1CCCC12CCN(CC2)C(=O)OC(C)(C)C
Synonyms	191805-29-5, TERT-BUTYL 1-OXO-8-AZASPIRO[4.5]DECANE-8-CARBOXYLATE, Tert-butyl 4-oxo-8-azaspiro[4.5]decane-8-carboxylate, 8-Boc-1-oxo-8-aza-spiro[4.5]decane, 1-Oxo-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester, SCHEMBL4774216, VFNVAGFIJXCMPA-UHFFFAOYSA-N, KS-000003ZP, MFCD18074085, ZINC34523045, 8-Boc-8-azaspiro[4.5]decan-1-one, AKOS025146832, CS-W000610, DS-8963, PB12906, AK165381, AM805527, X3511, 1-Oxo-8-aza-spiro[4.5]decane-8-carboxylicacidtert-butylester, C14H23NO3, CID10848487,

Complexity	349
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.168g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.342g/mol
Monoisotopic Mass	253.168g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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