AG000H04

1158749-94-0 | 1,8-Diazaspiro[4.5]decane-8-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester

AG000H04

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CAS Number	1158749-94-0
Catalog Number	AG000H04(AGN-PC-0WAGK0)
Chemical Name	1,8-Diazaspiro[4.5]decane-8-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 2-oxo-1,8-diazaspiro[4.5]decane-8-carboxylate
InChI	InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-8-6-13(7-9-15)5-4-10(16)14-13/h4-9H2,1-3H3,(H,14,16)
InChI Key	MHBGZEDGKJRVPB-UHFFFAOYSA-N
MDL Number	MFCD12198560
Molecular Formula	C13H22N2O3
Molecular Weight	254.3254
SMILES	O=C(N(CC1)CCC21CCC(N2)=O)OC(C)(C)C
Synonyms	tert-Butyl 2-oxo-1,8-diazaspiro[4.5]decane-8-carboxylate, 1158749-94-0, AK-64972, SCHEMBL15447211, DTXSID00745368, tert-Butyl2-oxo-1,8-diazaspiro[4.5]decane-8-carboxylate, MFCD12198560, ZINC91302176, AKOS016015045, CS-W007181, FCH1621064, OC-0607, KS-000007Z3, AM805514, DS-15696, OR315539, 8-Boc-1,8-diazaspiro[4.5]decan-2-one, AJ-130304, AX8216708, FT-0702825, ST24049690, tert-Butyl 2-oxo-1,8-diazaspiro[4.5]decane-8-carboxylate, AldrichCPR, 1,8-Diazaspiro[4.5]decane-8-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester, MHBGZEDGKJRVPB-UHFFFAOYSA-N,

Complexity	352
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.163g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	254.33g/mol
Monoisotopic Mass	254.163g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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