HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,2,2-Trichloroethanimidamide
2,2,2-trichloroacetamidine · 2,2,2-Trichloroacetimidamide · 2,2,2-trichloroethanimidamide · EthaniMidaMide, 2,2,2-trichloro-
Identifiers & Physical Properties
| CAS No. | 2533-68-8 |
|---|---|
| Molecular formula | C2H3Cl3N2 |
| Average molar mass | 161.41 g/mol |
| Monoisotopic mass | 159.93618114 g/mol |
| SMILES | N=C(N)C(Cl)(Cl)Cl |
| InChIKey | FJKHRICFMSYVFL-UHFFFAOYSA-N |
| PubChem CID | 35608 |
| ChEMBL | CHEMBL3302502 |
| DTXSID | DTXSID90275341 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 49.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 83.4 |
| Melting point | 41-42 °C |
| Boiling point | 176.0±40.0 °C(Predicted) |
| Density | 1.77±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 6.45±0.40(Predicted) |