| Melting point |
84-86°C |
| Boiling point |
666.7±65.0 °C(Predicted) |
| Density |
1.34±0.1 g/cm3(Predicted) |
| storage temp. |
Refrigerator, Under Inert Atmosphere |
| solubility |
Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly) |
| form |
Solid |
| pka |
4.16±0.10(Predicted) |
| color |
Off-White to Light Yellow |
| InChI |
InChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28) |
| InChIKey |
FQZSMTSTFMNWQF-UHFFFAOYSA-N |
| SMILES |
C1(CCCC)N(CC2=CC=C(C3=CC=CC=C3C3=NNN=N3)C=C2)C(C=O)=C(Cl)N=1 |
| CAS DataBase Reference |
114798-36-6 |