4-{Ethyl[2,4,6-Triiodo-3-(Methylamino)Phenyl]Amino}-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C13H15I3N2O3
IUPAC Name 4-[n-ethyl-2,4,6-triiodo-3-(methylamino)anilino]-4-oxo-butanoic acid
Molecular Mass 627.983 g·mol−1
Heat of Formation -298.3 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 426.45 Å 3
Surface Area 343.22 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(ethyl(2,4,6-triiodo-3-(methylamino)phenyl)amino)-4-oxobutanoic acid
  • 4-[ethyl-(2,4,6-triiodo-3-methylamino-phenyl)amino]-4-keto-butyric acid
  • 4-[ethyl-(2,4,6-triiodo-3-methylamino-phenyl)amino]-4-oxo-butanoic acid
  • 4-[ethyl-(2,4,6-triiodo-3-methylaminophenyl)amino]-4-oxobutanoic acid
  • butanoic acid, 4-(ethyl(2,4,6-triiodo-3-(methylamino)phenyl)amino)-4-oxo-
  • d04591
  • iosumetic acid
  • iosumetic acid (usan)
  • iosumeticacid
  • n-ethyl-2',4',6'-triiodo-3'-(methylamino)succinanilic acid
CAS Number(s)
  • 37863-70-0
InChIKey IGSPYLOKMDUVEX-UHFFFAOYSA-N
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