HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,9-Acridinediamine
3,9-Acridinediamine · 3,9-DIAMINO-ACRIDINE · acridine-3,9-diamine
Identifiers & Physical Properties
| CAS No. | 951-80-4 |
|---|---|
| Molecular formula | C13H11N3 |
| Average molar mass | 209.25 g/mol |
| Monoisotopic mass | 209.09529736 g/mol |
| SMILES | Nc1ccc2c(N)c3ccccc3nc2c1 |
| InChIKey | AMOPBNMABDFREG-UHFFFAOYSA-N |
| PubChem CID | 13713 |
| ChEMBL | CHEMBL147630 |
| DTXSID | DTXSID00241754 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 64.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 256 |
| Melting point | 146°C |
| Boiling point | 338.61°C (rough estimate) |
| Density | 1.1847 (rough estimate) |
| Refractive index | 1.6000 (estimate) |
| FDA UNII | FB6AX5A48U |