| Melting point |
207.5 °C |
| Boiling point |
432.6±55.0 °C(Predicted) |
| Density |
1.82±0.1 g/cm3(Predicted) |
| storage temp. |
Keep in dark place,Sealed in dry,2-8°C |
| solubility |
45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: <0.8 mg/mL |
| form |
powder to crystal |
| pka |
7.69±0.10(Predicted) |
| color |
Light yellow to Amber to Dark green |
| biological source |
mouse |
| Water Solubility |
45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: <0.8mg/mL
DMSO: >6.5mg/mL
ethanol: <8mg/mL (warm)
H2O: insoluble |
| Merck |
14,1375 |
| InChI |
InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17) |
| InChIKey |
XYLJNLCSTIOKRM-UHFFFAOYSA-N |
| SMILES |
N1C2C(=C(Br)C(NC3NCCN=3)=CC=2)N=CC=1 |
| CAS DataBase Reference |
59803-98-4(CAS DataBase Reference) |
