| Boiling point |
511.0±50.0 °C(Predicted) |
| Density |
1.238±0.06 g/cm3(Predicted) |
| storage temp. |
2-8°C |
| solubility |
DMSO: 13 mg/mL at 60 °C, soluble |
| form |
solid |
| pka |
0.03±0.70(Predicted) |
| color |
yellow |
| InChI |
1S/C21H22N2O6/c1-6-11-22-13(3)17(20(24)28-5)19(18(14(22)4)21(25)29-7-2)15-9-8-10-16(12-15)23(26)27/h1,8-10,12,19H,7,11H2,2-5H3 |
| InChIKey |
BITHABUTZRAUGT-UHFFFAOYSA-N |
| SMILES |
CCOC(=O)C1=C(C)N(CC#C)C(C)=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC |
