| CAS Number | 561314-42-9 |
| Catalog Number | AG01BBCI(AGN-PC-0SKITT) |
| Chemical Name | Tert-butyl 3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate |
| IUPAC Name | tert-butyl 3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate |
| InChI | InChI=1S/C12H21N3O3/c1-11(2,3)18-10(17)15-6-4-12(5-7-15)8-9(16)13-14-12/h14H,4-8H2,1-3H3,(H,13,16) |
| InChI Key | NMMISVGLPIEMJB-UHFFFAOYSA-N |
| MDL Number | MFCD28968160 |
| Molecular Formula | C12H21N3O3 |
| Molecular Weight | 255.3134 |
| SMILES | CC(OC(N1CCC2(NNC(=O)C2)CC1)=O)(C)C |
| Synonyms | 561314-42-9,
tert-butyl 3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate,
SCHEMBL2769705,
NMMISVGLPIEMJB-UHFFFAOYSA-N,
ZINC88242160,
AKOS033805903,
A1-08405,
Z2216303100,
3-Oxo-1,2,8-triaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester,
3-oxo-1,2.8-triaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.318g/mol |
| Monoisotopic Mass | 255.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number