(2S)-3-(6-Bromo-1H-Indol-3-Yl)-2-(Trimethylammonio)Propanoate

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Properties Simple | Detailed

Formula C14H18BrN2O2+
IUPAC Name (2s)-3-(6-bromo-2h-indol-1-ium-2-ylium-3-yl)-2-(trimethylammonio)propanoate
Molecular Mass 326.209 g·mol−1
Heat of Formation -97.6 ± 16.7 kJ·mol−1
Dipole Moment 13.84 ± 1.08 D
Volume 337.79 Å 3
Surface Area 290.47 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-(6-bromo-1h-indol-3-yl)-2-trimethylammonio-propanoate
  • (2s)-3-(6-bromo-1h-indol-3-yl)-2-trimethylammonio-propionate
  • (2s)-3-(6-bromo-1h-indol-3-yl)-2-trimethylammoniopropanoate
  • (2s)-3-(6-bromo-1h-indol-3-yl)-2-trimethylazaniumyl-propanoate
  • (2s)-3-(6-bromo-1h-indol-3-yl)-2-trimethylazaniumylpropanoate
  • 1h-indole-3-ethanaminium, 6-bromo-alpha-carboxy-n,n,n-trimethyl-, hydroxide, inner salt, (s)-
  • 6-bromohypaphorine
  • d-6-bromohypaphorine
  • l-6-bromohypaporphine
CAS Number(s)
  • 64364-14-3
InChIKey WWGWMAVAOTWHTF-ZDUSSCGKSA-N
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