HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 6604635Generated: November 1, 2026
(1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
https://huagongshe.com/en/chemical/6604635
Identifiers & Physical Properties
| CAS No. | 41645-70-9 |
|---|
| Molecular formula | C13H18N2O2 |
|---|
| Average molar mass | 234.29 g/mol |
|---|
| Monoisotopic mass | 234.13682782 g/mol |
|---|
| SMILES | O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCO)C1 |
|---|
| InChIKey | YACCDFQYQYSQKW-WDEREUQCSA-N |
|---|
| PubChem CID | 6604635 |
|---|
| DTXSID | DTXSID501116293 |
|---|
Chemical & Physical Properties
| XLogP | 0 |
|---|
| Topological polar surface area | 43.8 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 3 |
|---|
| Rotatable bonds | 2 |
|---|
| Heavy atoms | 17 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 389 |
|---|
![(1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one molecular structure](/img/chemical/6604635.png)