N-(3-Amino-2,4,6-Triiodobenzoyl)-N-Phenyl-β-Alanine

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Properties Simple | Detailed

Formula C16H13I3N2O3
IUPAC Name 3-(n-(3-amino-2,4,6-triiodo-benzoyl)anilino)propanoic acid
Molecular Mass 661.999 g·mol−1
Heat of Formation -130.7 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 455.32 Å 3
Surface Area 365.34 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
Synonyms
  • 3-((3-amino-2,4,6-triiodobenzoyl)phenylamino)propionic acid
  • 3-[(3-amino-2,4,6-triiodo-benzoyl)-phenyl-amino]propanoic acid
  • 3-[(3-amino-2,4,6-triiodo-benzoyl)-phenyl-amino]propionic acid
  • 3-[(3-amino-2,4,6-triiodo-phenyl)carbonyl-phenyl-amino]propanoic acid
  • 3-[[(3-amino-2,4,6-triiodophenyl)-oxomethyl]-phenylamino]propanoic acid
  • acidum jobenzamicum
  • beta-(n-(3-amino-2,4,6-triiodobenzoyl)phenylamino)propionic acid
  • beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-
  • bilibyk
  • d01313
  • iobenzamic acid
  • iobenzamic acid (jan/usan)
  • isobenzamic acid
  • n-(3-amino-2,4,6-triiodobenzoyl)-n-(2-carboxyethyl)aniline
  • osbil
  • osbiland
  • razebil
  • st-5066
  • tracebil
  • tracebyl
  • u-12,031
CAS Number(s)
  • 3115-05-7
InChIKey FJYJNLIEGUTPIJ-UHFFFAOYSA-N
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