| CAS Number | 353461-15-1 |
| Catalog Number | AG01EAAQ |
| Chemical Name | tert-Butyl 2-oxo-9-azabicyclo[4.2.1]nonane-9-carboxylate |
| IUPAC Name | tert-butyl 2-oxo-9-azabicyclo[4.2.1]nonane-9-carboxylate |
| InChI | InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-9-5-4-6-11(15)10(14)8-7-9/h9-10H,4-8H2,1-3H3 |
| InChI Key | VLBIITJVZKIBAL-UHFFFAOYSA-N |
| MDL Number | MFCD02168043 |
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.3107 |
| SMILES | CC(OC(N1C2C(CCCC1CC2)=O)=O)(C)C |
| Synonyms | tert-butyl 2-oxo-9-azabicyclo[4.2.1]nonane-9-carboxylate,
353461-15-1,
AC1MT8G1,
Oprea1_372714,
MCULE-2245575866,
AK-564/14607009,
tert-butyl 5-oxo-9-azabicyclo[4.2.1]nonane-9-carboxylate,
VLBIITJVZKIBAL-UHFFFAOYSA-N,
ZINC00481822,
CID3596584,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.315g/mol |
| Monoisotopic Mass | 239.152g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number