HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Pyrimidinamine, N-(2,6-dichlorophenyl)-
N-(2,6-dichlorophenyl)pyrimidin-2-amine · 2-Pyrimidinamine, N-(2,6-dichlorophenyl)-
Identifiers & Physical Properties
| CAS No. | 66501-16-4 |
|---|---|
| Molecular formula | C10H7Cl2N3 |
| Average molar mass | 240.09 g/mol |
| Monoisotopic mass | 239.0017026 g/mol |
| SMILES | Clc1cccc(Cl)c1Nc1ncccn1 |
| InChIKey | RQHCTLPUMQYABP-UHFFFAOYSA-N |
| PubChem CID | 3050488 |
| DTXSID | DTXSID60216706 |
Chemical & Physical Properties
| XLogP | 3.3 |
|---|---|
| Topological polar surface area | 37.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 187 |
| Boiling point | 375.6±52.0 °C(Predicted) |
| Density | 1.447±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 2.11±0.10(Predicted) |
| EWG's Food Scores | 1 |