| CAS Number | 1421313-98-5 |
| Catalog Number | AG001HTX(AGN-PC-0WBRLH) |
| Chemical Name | 2-Azaspiro[4.5]decane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 7-oxo-2-azaspiro[4.5]decane-2-carboxylate |
| InChI | InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-8-7-14(10-15)6-4-5-11(16)9-14/h4-10H2,1-3H3 |
| InChI Key | ZNJZBFPPQUKOBV-UHFFFAOYSA-N |
| MDL Number | MFCD26959114 |
| Molecular Formula | C14H23NO3 |
| Molecular Weight | 253.3373 |
| SMILES | O=C(N1CC2(CC(CCC2)=O)CC1)OC(C)(C)C |
| Synonyms | 1421313-98-5,
tert-butyl 7-oxo-2-azaspiro[4.5]decane-2-carboxylate,
2-Boc-7-oxo-2-azaspiro[4.5]decane,
KS-000004CD,
MFCD26959114,
2-Boc-2-azaspiro[4.5]decan-7-one,
AKOS016344653,
FCH3125309,
SB11329,
AK170928,
AS-33949,
BB 0262978,
CS-0048132,
Q-5018,
tert-Butyl 9-oxo-3-azaspiro[4.5]decane-3-carboxylate,
2-Azaspiro[4.5]decane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester,
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| Complexity | 359 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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