Tert-Butyl 9H-β-Carboline-3-Carboxylate

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Properties Simple | Detailed

Formula C16H16N2O2
IUPAC Name tert-butyl pyrido[3,4-b]indol-9-ium-3-carboxylate
Molecular Mass 268.310 g·mol−1
Heat of Formation -152.4 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 322.14 Å 3
Surface Area 297.13 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-carbo-t-butoxy-beta-carboline
  • 3-carboxy-tert-butoxy-beta-carboline
  • 9h-$b-carboline-3-carboxylic acid tert-butyl ester
  • 9h-pyrido(3,4-b)indole-3-carboxylic acid, 1,1-dimethylethyl ester
  • 9h-pyrido[5,4-b]indole-3-carboxylic acid tert-butyl ester
  • beta-carboline-3-carboxylate t-butyl ester
  • beta-carboline-3-carboxylate-t-butyl ester
  • beta-cct
  • beta-cctb
  • pdsp1_001748
  • pdsp1_001749
  • pdsp2_001731
  • pdsp2_001732
  • tert-butyl 9h-pyrido[5,4-b]indole-3-carboxylate
  • tert-butyl beta-carboline-3-carboxylate
CAS Number(s)
  • 93835-05-3
InChIKey FVFFDKKTXYVCCW-UHFFFAOYSA-N
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