Chemical Properties
| Boiling point | 555.8±50.0 °C(Predicted) |
| Density | 1.354±0.06 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | DMF: 20 mg/ml; DMF:PBS (pH 7.2) (1:9): 0.1 mg/ml; DMSO: 10 mg/ml; Ethanol: 5 mg/ml |
| form | A crystalline solid |
| pka | 4.08±0.30(Predicted) |
| color | White to light yellow |
| InChI | 1S/C19H19ClN4O/c20-16-12-14(19(25)18-15(16)4-3-7-22-18)13-23-8-10-24(11-9-23)17-5-1-2-6-21-17/h1-7,12,25H,8-11,13H2 |
| InChIKey | OPEJNANYABTIGC-UHFFFAOYSA-N |
| SMILES | OC1=C(CN2CCN(C3=NC=CC=C3)CC2)C=C(Cl)C4=CC=CN=C41 |
Safety Information
| WGK Germany | WGK 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |
