3-[2-(Methylamino)Ethyl]-1H-Indol-4-Yl Dihydrogen Phosphate

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Formula C11H15N2O4P
IUPAC Name [3-[2-(methylamino)ethyl]indol-1-ium-4-yl] dihydrogen phosphate
Molecular Mass 270.222 g·mol−1
Heat of Formation -897.1 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 300.2 Å 3
Surface Area 263.68 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indol-4-ol, 3-(2-(methylamino)ethyl)-, dihydrogen phosphate (ester)
  • [3-(2-methylaminoethyl)-1h-indol-4-yl] dihydrogen phosphate
  • baeocystin
CAS Number(s)
  • 11044-29-4
  • 21420-58-6
InChIKey WTPBXXCVZZZXKR-UHFFFAOYSA-N
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