AG000WVE

1272758-41-4 | 3-Azaspiro[5.5]undecane-3-carboxylic acid, 9-amino-, 1,1-dimethylethyl ester

AG000WVE

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CAS Number	1272758-41-4
Catalog Number	AG000WVE(AGN-PC-0WCKAQ)
Chemical Name	3-Azaspiro[5.5]undecane-3-carboxylic acid, 9-amino-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 9-amino-3-azaspiro[5.5]undecane-3-carboxylate
InChI	InChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-10-8-15(9-11-17)6-4-12(16)5-7-15/h12H,4-11,16H2,1-3H3
InChI Key	XLCNOLSVIODXPX-UHFFFAOYSA-N
MDL Number	MFCD18711593
Molecular Formula	C15H28N2O2
Molecular Weight	268.3950
SMILES	O=C(N1CCC2(CCC(N)CC2)CC1)OC(C)(C)C
Synonyms	1272758-41-4, TERT-BUTYL 9-AMINO-3-AZASPIRO[5.5]UNDECANE-3-CARBOXYLATE, 9-AMINO-3-BOC-3-AZASPIRO[5.5]UNDECANE, 9-Amino-3-aza-spiro[5.5]undecane-3-carboxylic acid tert-butyl ester, SCHEMBL16054753, DTXSID40745367, XLCNOLSVIODXPX-UHFFFAOYSA-N, KS-000006XL, MFCD18711593, ZINC66054932, AKOS022983545, PB19663, AM805327, AS-36052, AB0074107, CS-0048123, Q-3762, F8887-3859, tert-butyl 3-amino-9-azaspiro[5.5]undecane-9-carboxylate, 3-Azaspiro[5.5]undecane-3-carboxylic acid, 9-amino-, 1,1-dimethylethyl ester,

Complexity	318
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.215g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	268.401g/mol
Monoisotopic Mass	268.215g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

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