4,5-Diketotryptamine

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Properties Simple | Detailed

Formula C10H10N2O2
IUPAC Name 3-(2-aminoethyl)indol-1-ium-7a-ylium-4,5-dione
Molecular Mass 190.199 g·mol−1
Heat of Formation -87.0 ± 16.7 kJ·mol−1
Dipole Moment 7.34 ± 1.08 D
Volume 223.75 Å 3
Surface Area 214.0 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-4,5-dione, 3-(2-aminoethyl)-
  • 3-(2-aminoethyl)-1h-indole-4,5-dione
  • 3-(2-aminoethyl)-1h-indole-4,5-quinone
  • 4,5-dkt
  • tryptamine-4,5-dione
CAS Number(s)
  • 108560-71-0
InChIKey IEEQBAOIHWUWBM-UHFFFAOYSA-N
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