5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
- Product Name5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
- CAS31127-80-7
- CBNumberCB5372946
- MFC16H20I3N3O7
- MW747.06
- EINECS445-830-8
- MDL NumberMFCD08063354
- MOL File31127-80-7.mol
Chemical Properties
| 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) |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H315-H319 |
| Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| WGK Germany | WGK 3 |
| HS Code | 2924299090 |
| Storage Class | 11 - Combustible Solids |
| REACH Registrations | Active |