25717-80-0
| Name | Molsidomine |
| CAS | 25717-80-0 |
| EINECS(EC#) | 247-207-4 |
| Molecular Formula | C7H8N2O4 |
| MDL Number | MFCD00869301 |
| Molecular Weight | 184.15 |
| MOL File | 25717-80-0.mol |
Chemical Properties
| Melting point | 140-141°C |
| Boiling point | 385.05°C (rough estimate) |
| density | 1.3186 (rough estimate) |
| refractive index | 1.6300 (estimate) |
| storage temp. | 2-8°C |
| solubility | Sparingly soluble in water, soluble in anhydrous ethanol and in methylene chloride. |
| form | neat |
| pka | pK (100°) 3.0 ± 0.1 |
| color | White to Off-White |
| λmax | 317nm(MeOH)(lit.) |
| Merck | 14,6234 |
| InChI | InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3/b10-8- |
| InChIKey | XLFWDASMENKTKL-NTMALXAHSA-N |
| SMILES | [N+]1([N-]O/C(=N\C(=O)OCC)/C=1)N1CCOCC1 |
| CAS DataBase Reference | 25717-80-0(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | WU7677400 |
| HS Code | 29349990 |
| Toxicity |