HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(1H-Benzimidazol-1-yl)propanal
1H-Benzimidazole-1-propanal · 1H-Benzimidazole-1-propanal(9CI)
Identifiers & Physical Properties
| CAS No. | 153893-09-5 |
|---|---|
| Molecular formula | C10H10N2O |
| Average molar mass | 174.2 g/mol |
| Monoisotopic mass | 174.07931294 g/mol |
| SMILES | O=CCCn1cnc2ccccc21 |
| InChIKey | HRUAWKZCCFADRR-UHFFFAOYSA-N |
| PubChem CID | 22018549 |
| DTXSID | DTXSID50621567 |
Chemical & Physical Properties
| XLogP | 0.8 |
|---|---|
| Topological polar surface area | 34.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 184 |
| Boiling point | 340.4±44.0 °C(Predicted) |
| Density | 1.16±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 5.08±0.10(Predicted) |