HuagongsheHuagongshe Chemistry Print Report · For research reference only
Perylen-1-amine
1-Perylenamine · 3-AMINOPERYLENE
Identifiers & Physical Properties
| CAS No. | 35337-21-4 |
|---|---|
| Molecular formula | C20H13N |
| Average molar mass | 267.3 g/mol |
| Monoisotopic mass | 267.10479942 g/mol |
| SMILES | Nc1ccc2cccc3c4cccc5cccc(c1c23)c54 |
| InChIKey | XDCVFPZJEDYBRG-UHFFFAOYSA-N |
| PubChem CID | 12717841 |
| DTXSID | DTXSID20507905 |
Chemical & Physical Properties
| XLogP | 5.1 |
|---|---|
| Topological polar surface area | 26 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 405 |
| Boiling point | 529.994±19.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.348±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 4.320±0.30(predicted) |