HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Amino-2-(imidazol-4'-yl)ethylphosphonic acid
1-amino-2-(imidazol-4'-yl)ethylphosphonic acid
Identifiers & Physical Properties
| CAS No. | 156721-55-0 |
|---|---|
| Molecular formula | C5H10N3O3P |
| Average molar mass | 191.13 g/mol |
| Monoisotopic mass | 191.04597819 g/mol |
| SMILES | NC(Cc1cnc[nH]1)P(=O)(O)O |
| InChIKey | RBWBYDGLCQQGRQ-UHFFFAOYSA-N |
| PubChem CID | 190847 |
| DTXSID | DTXSID60935506 |
Chemical & Physical Properties
| XLogP | -4.5 |
|---|---|
| Topological polar surface area | 112 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 194 |