AG0096UE

1061731-86-9 | 3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 8-oxo-, 1,1-dimethylethyl ester

AG0096UE

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CAS Number	1061731-86-9
Catalog Number	AG0096UE(AGN-PC-0WAKB4)
Chemical Name	3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 8-oxo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 10-oxo-3,9-diazaspiro[5.5]undecane-3-carboxylate
InChI	InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-8-5-14(6-9-16)4-7-15-11(17)10-14/h4-10H2,1-3H3,(H,15,17)
InChI Key	NICATZPYVMNDQX-UHFFFAOYSA-N
MDL Number	MFCD13184372
Molecular Formula	C14H24N2O3
Molecular Weight	268.3520
SMILES	O=C(N1CCC2(CC(NCC2)=O)CC1)OC(C)(C)C
Synonyms	1061731-86-9, tert-Butyl 8-oxo-3,9-diazaspiro[5.5]undecane-3-carboxylate, 3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 8-oxo-, 1,1-dimethylethyl ester, SCHEMBL16862285, BCP25716, MFCD13184372, ZINC95933581, AKOS022186087, FCH1619785, SB13980, AS-49838, AJ-138112, CS-0000410, W-4491, tert-butyl 10-oxo-3,9-diazaspiro[5.5]undecane-3-carboxylate, 3,9-Diazaspiro[5.5]undecane-3-carboxylicacid,8-oxo-,1,1-dimethylethylester, tert-?butyl 8-?oxo-?3,?9-?diazaspiro[5.5]?undecane-?3-?carboxylate, 3,9-Diazaspiro[5.5]undecane-3-carboxylic acid,8-oxo-,1,1-dimethylethyl ester,

Complexity	365
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.179g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	268.357g/mol
Monoisotopic Mass	268.179g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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