| CAS Number | 1932220-92-2 |
| Catalog Number | AG00J2OP(AGN-PC-0WRAPV) |
| Chemical Name | tert-butyl rac-(1R,5S)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylate |
| IUPAC Name | tert-butyl (1R,5S)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylate |
| InChI | InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-8-9-4-5-10(14)7-13-6-9/h9-10,13H,4-8H2,1-3H3/t9-,10+/m1/s1 |
| InChI Key | UHWAZPYFRBULMP-ZJUUUORDSA-N |
| MDL Number | MFCD12911418 |
| Molecular Formula | C12H22N2O2 |
| Molecular Weight | 226.3153 |
| SMILES | C(=O)(OC(C)(C)C)N1[C@@H]2CNC[C@@H](CC2)C1 |
| Synonyms | tert-butyl rac-(1R,5S)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylate,
tert-Butyl (1R*,5S*)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylate,
1932220-92-2,
MFCD12911418,
ZINC72109529,
AJ-119040,
Y-7306,
1214743-62-0,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number