Chemical Properties
| Boiling point | 601.5±55.0 °C(Predicted) |
| Density | 1.383±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO: ~17 mg/mL |
| form | crystalline |
| pka | 11+-.0.20(Predicted) |
| color | brown |
| InChI | 1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17) |
| InChIKey | QNUKRWAIZMBVCU-UHFFFAOYSA-N |
| SMILES | [nH]1cncc1C=C2c3c(ccc(c3)OC)NC2=O |
Safety Information
| Safety Statements | 22-24/25 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
