3-(2-Aminoethyl)-7-Hydroxy-1H-Indole-4,5-Dione

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Properties Simple | Detailed

Formula C10H10N2O3
IUPAC Name 3-(2-aminoethyl)-7-hydroxy-indol-1-ium-7a-ylium-4,5-dione
Molecular Mass 206.198 g·mol−1
Heat of Formation -261.3 ± 16.7 kJ·mol−1
Dipole Moment 8.44 ± 1.08 D
Volume 234.6 Å 3
Surface Area 222.63 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-4,7-dione, 3-(2-aminoethyl)-5-hydroxy-
  • 3-(2-aminoethyl)-7-hydroxy-1h-indole-4,5-quinone
  • 5-htp-4,7-dione
  • 5-hydroxytryptamine-4,7-dione
CAS Number(s)
  • 100513-78-8
InChIKey VLVFDKFQRBITDV-UHFFFAOYSA-N
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