HuagongsheHuagongshe Chemistry Print Report · For research reference only
4'-Cyano[1,1'-biphenyl]-4-yl 6-aminohexanoate
![4'-Cyano[1,1'-biphenyl]-4-yl 6-aminohexanoate molecular structure](/img/chemical/85642967.png)
Identifiers & Physical Properties
| CAS No. | 141702-37-6 |
|---|---|
| Molecular formula | C19H20N2O2 |
| Average molar mass | 308.4 g/mol |
| Monoisotopic mass | 308.15247789 g/mol |
| SMILES | N#Cc1ccc(-c2ccc(OC(=O)CCCCCN)cc2)cc1 |
| InChIKey | HOJOUGOYBLNALI-UHFFFAOYSA-N |
| PubChem CID | 85642967 |
| DTXSID | DTXSID701252752 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 76.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 8 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 399 |