| Boiling point |
428.169±47.00 °C(Press: 760.00 Torr)(predicted) |
| Density |
1.336±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| storage temp. |
−20°C |
| solubility |
DMF: >34 mg/ml; DMSO: >20 mg/ml; Ethanol: >36 mg/ml; PBS pH 7.2: >2.2 mg/ml |
| pka |
8.425±0.10(predicted) |
| form |
White to off-white crystalline solid. |
| InChI |
1S/C8H13N3O4/c1-3-6(5(2)11(14)15)4-7(10-13)8(9)12/h4-5,13H,3H2,1-2H3,(H2,9,12)/b6-4+,10-7+ |
| InChIKey |
MZAGXDHQGXUDDX-AGLLBGTNSA-N |
| SMILES |
CC\C(=C/C(=N\O)C(N)=O)C(C)[N+]([O-])=O |
