| Melting point |
274-276°C |
| Boiling point |
746.1±60.0 °C(Predicted) |
| Density |
2.289±0.06 g/cm3(Predicted) |
| storage temp. |
2-8°C |
| solubility |
DMSO (Sparingly, Heated), Methanol (Slightly, Heated) |
| pka |
11.45±0.46(Predicted) |
| color |
White to Off-White |
| Stability |
Hygroscopic |
| Major Application |
pharmaceutical (small molecule) |
| InChI |
InChI=1S/C16H20I3N3O7/c1-6(25)22-14-12(18)9(15(28)20-2-7(26)4-23)11(17)10(13(14)19)16(29)21-3-8(27)5-24/h7-8,23-24,26-27H,2-5H2,1H3,(H,20,28)(H,21,29)(H,22,25) |
| InChIKey |
BHCBLTRDEYPMFZ-UHFFFAOYSA-N |
| SMILES |
C1(C(NCC(O)CO)=O)=C(I)C(NC(C)=O)=C(I)C(C(NCC(O)CO)=O)=C1I |
| CAS DataBase Reference |
31127-80-7(CAS DataBase Reference) |
| FDA UNII |
BK2UH2P436 |
| UNSPSC Code |
41116107 |
| NACRES |
NA.24 |