AG000PQN

1198284-49-9 | 3-Azaspiro[5.5]undecane-3-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester

AG000PQN

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CAS Number	1198284-49-9
Catalog Number	AG000PQN(AGN-PC-0WALPQ)
Chemical Name	3-Azaspiro[5.5]undecane-3-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 11-oxo-3-azaspiro[5.5]undecane-3-carboxylate
InChI	InChI=1S/C15H25NO3/c1-14(2,3)19-13(18)16-10-8-15(9-11-16)7-5-4-6-12(15)17/h4-11H2,1-3H3
InChI Key	WPVRVDKDXFXDFM-UHFFFAOYSA-N
MDL Number	MFCD11616070
Molecular Formula	C15H25NO3
Molecular Weight	267.3639
SMILES	O=C(N1CCC2(C(CCCC2)=O)CC1)OC(C)(C)C
Synonyms	TERT-BUTYL 7-OXO-3-AZASPIRO[5.5]UNDECANE-3-CARBOXYLATE, 1198284-49-9, 3-Boc-7-oxo-3-azaspiro[5.5]undecane, SCHEMBL16914278, CTK7G2892, KS-000003ZQ, MFCD11616070, ZINC79033790, PB29835, 3-Boc-3-azaspiro[5.5]undecan-7-one, AS-33814, CS-0048129, tert-butyl 11-oxo-3-azaspiro[5.5]undecane-3-carboxylate, 3-AZASPIRO[5.5]UNDECANE-3-CARBOXYLIC ACID, 7-OXO-, 1,1-DIMETHYLETHYL ESTER,

Complexity	362
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.183g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	267.369g/mol
Monoisotopic Mass	267.183g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number