HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-{[(3-Hydroxycyclobutyl)methyl]amino}propanenitrile
![3-{[(3-Hydroxycyclobutyl)methyl]amino}propanenitrile molecular structure](/img/chemical/66005299.png)
Identifiers & Physical Properties
| CAS No. | 1491330-97-2 |
|---|---|
| Molecular formula | C8H14N2O |
| Average molar mass | 154.21 g/mol |
| Monoisotopic mass | 154.11061307 g/mol |
| SMILES | N#CCCNCC1CC(O)C1 |
| InChIKey | RDDDDZKTBIRBIZ-UHFFFAOYSA-N |
| PubChem CID | 66005299 |
| DTXSID | DTXSID501203773 |
Chemical & Physical Properties
| XLogP | -0.4 |
|---|---|
| Topological polar surface area | 56.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 155 |