N-[2-(2-Iodo-5-Methoxy-1H-Indol-3-Yl)Ethyl]Acetamide

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Properties Simple | Detailed

Formula C13H15IN2O2
IUPAC Name n-[2-(2-iodo-5-methoxy-6h-indol-1-ium-6-id-3-yl)ethyl]acetamide
Molecular Mass 358.175 g·mol−1
Heat of Formation -179.6 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 327.45 Å 3
Surface Area 280.13 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 2-iodomelatonin
  • acetamide, n-(2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl)-
  • acetamide, n-(2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl)-, (3beta)-
  • n-(2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl)acetamide
  • n-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]ethanamide
  • pdsp1_001785
  • pdsp2_001768
  • tocris-0737
CAS Number(s)
  • 93515-00-5
InChIKey FJDDSMSDZHURBJ-UHFFFAOYSA-N
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