HuagongsheHuagongshe Chemistry Print Report · For research reference only
Compound 17
Tefluthrin Impurity 3 · 5-Acetylamino-N,N'-bis(2,3-dihydroxypropyl)-N,N'-dimethyl-2,4,6-triiodoisophthalamide · 5-acetylamino-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl isophthalamide · 5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl-1,3-benzenedicarboxamide · 1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1,N3-dimethyl-
Identifiers & Physical Properties
| CAS No. | 31122-84-6 |
|---|---|
| Molecular formula | C18H24I3N3O7 |
| Average molar mass | 775.1 g/mol |
| SMILES | CC(=O)Nc1c(I)c(C(=O)N(C)CC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I |
| InChIKey | RSBZNKFYPLBYBR-UHFFFAOYSA-N |
| PubChem CID | 198101 |
| ChEMBL | CHEMBL1093266 |
| DTXSID | DTXSID80875071 |
Chemical & Physical Properties
| XLogP | -2.2 |
|---|---|
| Topological polar surface area | 151 |
| Hydrogen bond donors | 5 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 9 |
| Heavy atoms | 31 |
| Formal charge | 0 |
| Complexity | 601 |
| LogP (partition coefficient) | -2.14 |
| Melting point | 135-159 °C |
| Boiling point | 923.0±65.0 °C(Predicted) |
| Density | 1.9601 (estimate) |
| pKa (acidity coefficient) | 12.15±0.70(Predicted) |