| CAS Number | 2044901-67-7 |
| Catalog Number | AG01BVSZ |
| Chemical Name | tert-butyl 9-oxo-2,5,8-triazaspiro[3.6]decane-2-carboxylate |
| IUPAC Name | tert-butyl 9-oxo-2,5,8-triazaspiro[3.6]decane-2-carboxylate |
| InChI | InChI=1S/C12H21N3O3/c1-11(2,3)18-10(17)15-7-12(8-15)6-9(16)13-4-5-14-12/h14H,4-8H2,1-3H3,(H,13,16) |
| InChI Key | AMSKONDFCJQUPY-UHFFFAOYSA-N |
| MDL Number | MFCD30486606 |
| Molecular Formula | C12H21N3O3 |
| Molecular Weight | 255.3134 |
| SMILES | CC(OC(N1CC2(NCCNC(=O)C2)C1)=O)(C)C |
| Synonyms | tert-butyl 9-oxo-2,5,8-triazaspiro[3.6]decane-2-carboxylate,
2044901-67-7,
AKOS033982915,
ZINC536948656,
Z2692095105,
|
| Complexity | 356 |
| 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 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number