1H-Indole-4,7-Dione, 5-((2-Hydroxyethyl)Amino)-3-(Hydroxymethyl)-2-((1E)-3-Hydroxy-1-Propenyl)-1-Methyl-

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Properties Simple | Detailed

Formula C15H18N2O5
IUPAC Name 5-(2-hydroxyethylamino)-3-(hydroxymethyl)-2-[(e)-3-hydroxyprop-1-enyl]-1-methyl-indol-1-ium-7a-ylium-4,7-dione
Molecular Mass 306.314 g·mol−1
Heat of Formation -651.8 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 352.64 Å 3
Surface Area 321.02 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-4,7-dione, 5-((2-hydroxyethyl)amino)-3-(hydroxymethyl)-2-(3-hydroxy-1-propenyl)-1-methyl-, (e)-
  • 3-hydroxymethyl-5-beta-hydroxyethylamino-2-(1h-indole-4,7-dione)prop-beta-en-alpha-ol
  • 5-(2-hydroxyethylamino)-2-[(e)-3-hydroxyprop-1-enyl]-1-methyl-3-methylol-indole-4,7-quinone
  • 5-(2-hydroxyethylamino)-3-(hydroxymethyl)-2-[(e)-3-hydroxyprop-1-enyl]-1-methyl-indole-4,7-dione
  • 5-(2-hydroxyethylamino)-3-(hydroxymethyl)-2-[(e)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione
  • eo-5a
CAS Number(s)
  • 131610-90-7
InChIKey CARMVIUSEAHWMX-NSCUHMNNSA-N
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