| CAS Number | 1965290-13-4 |
| Catalog Number | AG00J214 |
| Chemical Name | rac-(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one dihydrochloride |
| IUPAC Name | (1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one;dihydrochloride |
| InChI | InChI=1S/C7H12N2O.2ClH/c10-7-3-5-1-2-6(9-5)4-8-7;;/h5-6,9H,1-4H2,(H,8,10);2*1H/t5-,6+;;/m1../s1 |
| InChI Key | XLHCYBARFYUSEY-PVNUIUKASA-N |
| MDL Number | MFCD26959741 |
| Molecular Formula | C7H14Cl2N2O |
| Molecular Weight | 213.1049 |
| SMILES | C1(=O)C[C@H]2CC[C@H](N2)CN1.Cl.Cl |
| Synonyms | 1965290-13-4,
Rac-(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one dihydrochloride,
(1S,6R)-3,9-Diazabicyclo[4.2.1]-nonan-4-one dihydrochloride,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.048318g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.1g/mol |
| Monoisotopic Mass | 212.048318g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number