HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 1,4-diazabicyclo[3.2.1]octane-4-carboxylate
1,4-Diazabicyclo[3.2.1]octane-4-carboxylic acid, ethyl ester
![Ethyl 1,4-diazabicyclo[3.2.1]octane-4-carboxylate molecular structure](/img/chemical/12374079.png)
Identifiers & Physical Properties
| CAS No. | 784083-82-5 |
|---|---|
| Molecular formula | C9H16N2O2 |
| Average molar mass | 184.24 g/mol |
| Monoisotopic mass | 184.12117776 g/mol |
| SMILES | CCOC(=O)N1CCN2CCC1C2 |
| InChIKey | STABTCVRLBWOIJ-UHFFFAOYSA-N |
| PubChem CID | 12374079 |
| DTXSID | DTXSID00494985 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 32.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 208 |