| Melting point |
294-297°C (dec.) |
| Boiling point |
321.94°C (rough estimate) |
| Density |
1.2025 (rough estimate) |
| refractive index |
1.4830 (estimate) |
| storage temp. |
Keep in dark place,Sealed in dry,2-8°C |
| solubility |
DMF: 0.3 mg/ml; DMSO: 0.5 mg/ml |
| form |
Crystals |
| pka |
12.05±0.10(Predicted) |
| color |
Crystals from DMF |
| Water Solubility |
Insoluble in water or chloroform. Slightly soluble in acetic acid or DMF. Soluble in DMSO |
| Major Application |
pharmaceutical |
| InChI |
InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14) |
| InChIKey |
RNLQIBCLLYYYFJ-UHFFFAOYSA-N |
| SMILES |
C1NC(=O)C(N)=CC=1C1C=CN=CC=1 |
| CAS DataBase Reference |
60719-84-8(CAS DataBase Reference) |
