| CAS Number | 1357352-04-5 |
| Catalog Number | AG01BVT9 |
| Chemical Name | Tert-butyl 6-amino-2-azabicyclo[2.2.2]octane-2-carboxylate |
| IUPAC Name | tert-butyl 6-amino-2-azabicyclo[2.2.2]octane-2-carboxylate |
| InChI | InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-8-4-5-10(14)9(13)6-8/h8-10H,4-7,13H2,1-3H3 |
| InChI Key | VOJMZLZBOIHIRI-UHFFFAOYSA-N |
| MDL Number | MFCD22209559 |
| Molecular Formula | C12H22N2O2 |
| Molecular Weight | 226.3153 |
| SMILES | CC(OC(N1C2C(CC(CC2)C1)N)=O)(C)C |
| Synonyms | tert-butyl 6-amino-2-azabicyclo[2.2.2]octane-2-carboxylate,
1357352-04-5,
SCHEMBL1975872,
MFCD22209559,
AKOS024096475,
AS-43258,
Z2684296696,
t-Butyl 6-amino-2-azabicyclo[2.2.2]octane-2-carboxylate,
N/A,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.32g/mol |
| Monoisotopic Mass | 226.168g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number