2,2'-({2-[(4-Iodophenyl)Amino]-2-Oxoethyl}Imino)Diacetic Acid

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Properties Simple | Detailed

Formula C12H13IN2O5
IUPAC Name 2-[carboxymethyl-[2-(4-iodoanilino)-2-oxo-ethyl]amino]acetic acid
Molecular Mass 392.146 g·mol−1
Heat of Formation -703.0 ± 16.7 kJ·mol−1
Dipole Moment 6.98 ± 1.08 D
Volume 340.87 Å 3
Surface Area 316.9 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (4-iodoacetanilido)iminodiacetic acid
  • (p-iodoacetanilido)iminodiacetic acid
  • (para-iodoacetanilido)iminodiacetic acid
  • 2-[carboxymethyl-[2-[(4-iodophenyl)amino]-2-keto-ethyl]amino]acetic acid
  • 2-[carboxymethyl-[2-[(4-iodophenyl)amino]-2-oxo-ethyl]amino]acetic acid
  • 2-[carboxymethyl-[2-[(4-iodophenyl)amino]-2-oxo-ethyl]amino]ethanoic acid
  • 2-[carboxymethyl-[2-[(4-iodophenyl)amino]-2-oxoethyl]amino]acetic acid
  • n-(carboxymethyl)-n-(2-((4-iodophenyl)amino)-2-oxoethyl)glycine
  • p-iodo-ida
CAS Number(s)
  • 5502-61-4
InChIKey JMCYMWPKZIDMHK-UHFFFAOYSA-N
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