76801-93-9

Name 5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
CAS 76801-93-9
EINECS(EC#) 1312995-182-4
Molecular Formula C14H18I3N3O6
MDL Number MFCD08063355
Molecular Weight 705.02
MOL File 76801-93-9.mol
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Chemical Properties

Melting point  195°C (dec.)
Boiling point  684.9±55.0 °C(Predicted)
density  2.386±0.06 g/cm3(Predicted)
vapor pressure  0Pa at 25℃
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  DMSO (Slightly, Heated), Methanol (Slightly)
form  neat
pka 11.58±0.46(Predicted)
color  White to Off-White
Stability: Hygroscopic
Major Application pharmaceutical
InChI InChI=1S/C14H18I3N3O6/c15-9-7(13(25)19-1-5(23)3-21)10(16)12(18)11(17)8(9)14(26)20-2-6(24)4-22/h5-6,21-24H,1-4,18H2,(H,19,25)(H,20,26)
InChIKey KAEGSAWWVYMWIQ-UHFFFAOYSA-N
SMILES C1(C(NCC(O)CO)=O)=C(I)C(N)=C(I)C(C(NCC(O)CO)=O)=C1I
LogP -1.81 at 23℃ and pH5.83
Surface tension 72.85mN/m at 1g/L and 20℃
CAS DataBase Reference 76801-93-9(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  WGK 3
REACH Registrations Active
HS Code  2924296000
Storage Class 11 - Combustible Solids

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