4-[(3-Amino-2,4,6-Triiodophenyl)(Ethyl)Amino]-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C12H13I3N2O3
IUPAC Name 4-(3-amino-n-ethyl-2,4,6-triiodo-anilino)-4-oxo-butanoic acid
Molecular Mass 613.957 g·mol−1
Heat of Formation -306.9 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 398.79 Å 3
Surface Area 330.49 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-amino-n-ethyl-2',4',6'-triiodosuccinanilic acid
  • 4-[(3-amino-2,4,6-triiodo-phenyl)-ethyl-amino]-4-keto-butyric acid
  • 4-[(3-amino-2,4,6-triiodo-phenyl)-ethyl-amino]-4-oxo-butanoic acid
  • 4-[(3-amino-2,4,6-triiodophenyl)-ethylamino]-4-oxobutanoic acid
  • butanoic acid, 4-((3-amino-2,4,6-triiodophenyl)ethylamino)-4-oxo-
  • rg 235
  • sh 771
  • succinanilic acid, 3'-amino-n-ethyl-2',4',6'-triiodo-
  • succinic acid mono-3-amino-2,4,6-triiodo-n-ethylanilide
CAS Number(s)
  • 1634-73-7
InChIKey LCXACUQONAQZBR-UHFFFAOYSA-N
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