HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-((2-Chlorophenyl)methyl)-N',N''-dimethylguanidine
Chlorobethanidine · behenyltrimethylammonium methosulfate · N-(2-Chlorobenzyl)-N',N''-dimethylguanidine · Guanidine, N-[(2-chlorophenyl)methyl]-N',N''-dimethyl-

Identifiers & Physical Properties
| CAS No. | 51-13-8 |
|---|---|
| Molecular formula | C10H14ClN3 |
| Average molar mass | 211.69 g/mol |
| Monoisotopic mass | 211.0876252 g/mol |
| SMILES | CN=C(NC)NCc1ccccc1Cl |
| InChIKey | JCHVEDXZLFQDSL-UHFFFAOYSA-N |
| PubChem CID | 6313 |
| ChEMBL | CHEMBL4941091 |
| DTXSID | DTXSID00198996 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 36.4 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 4 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 194 |
| Boiling point | 296.3±42.0 °C(Predicted) |
| Density | 1.13±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 12.11±0.70(Predicted) |