| Melting point |
>170oC (dec.) |
| Density |
2.49±0.1 g/cm3(Predicted) |
| storage temp. |
under inert gas (nitrogen or Argon) at 2–8 °C |
| solubility |
DMSO (Slightly, Heated, Sonicated), Methanol (Slightly, Heated, Sonicated) |
| form |
Solid |
| pka |
10.28±0.20(Predicted) |
| color |
White to Off-White |
| InChI |
InChI=1S/C11H13IN4O4/c12-4-2-16(7-1-5(18)6(3-17)20-7)9-8(4)10(19)15-11(13)14-9/h2,5-7,17-18H,1,3H2,(H3,13,14,15,19)/t5-,6+,7+/m0/s1 |
| InChIKey |
TVQBNMOSBBMRCZ-RRKCRQDMSA-N |
| SMILES |
C12N=C(N)NC(=O)C=1C(=CN2[C@H]1C[C@@H]([C@@H](CO)O1)O)I |
| CAS DataBase Reference |
172163-62-1 |
