| CAS Number | 1825377-73-8 |
| Catalog Number | AG00J2NS(AGN-PC-0WRAPM) |
| Chemical Name | rac-(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-7-one |
| IUPAC Name | (1S,5S)-3,6-diazabicyclo[3.2.2]nonan-7-one |
| InChI | InChI=1S/C7H12N2O/c10-7-5-1-2-6(9-7)4-8-3-5/h5-6,8H,1-4H2,(H,9,10)/t5-,6-/m0/s1 |
| InChI Key | KNPIHDSEMFBJJK-WDSKDSINSA-N |
| MDL Number | MFCD21364388 |
| Molecular Formula | C7H12N2O |
| Molecular Weight | 140.1830 |
| SMILES | C1(=O)[C@H]2CNC[C@H](CC2)N1 |
| Synonyms | (1R,5S)-3,6-diazabicyclo[3.2.2]nonan-7-one,
1825377-73-8,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.186g/mol |
| Monoisotopic Mass | 140.095g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number