Butyl .β.-Carboline-3-Carboxylate

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Properties Simple | Detailed

Formula C16H16N2O2
IUPAC Name butyl pyrido[3,4-b]indol-9-ium-3-carboxylate
Molecular Mass 268.310 g·mol−1
Heat of Formation -124.1 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 321.5 Å 3
Surface Area 307.77 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry Cs
Synonyms
  • 9h-$b-carboline-3-carboxylic acid butyl ester
  • 9h-pyrido(3,4-b)indole-3-carboxylic acid, butyl ester
  • 9h-pyrido[5,4-b]indole-3-carboxylic acid butyl ester
  • beta-ccb
  • biomol-nt_000274
  • bpbio1_001057
  • butyl 9h-beta-carboline-3-carboxylate
  • butyl 9h-pyrido[5,4-b]indole-3-carboxylate
  • n-butyl beta-carboline-3-carboxylate
  • n-butyl-beta-carboline-3-carboxylate
  • nbbcc
  • tocris-0405
CAS Number(s)
  • 84454-35-3
InChIKey WGNGIELOOKACSB-UHFFFAOYSA-N
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