Propyl 9H-β-Carboline-3-Carboxylate

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Properties Simple | Detailed

Formula C15H14N2O2
IUPAC Name propyl pyrido[3,4-b]indol-9-ium-3-carboxylate
Molecular Mass 254.284 g·mol−1
Heat of Formation -103.3 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 299.68 Å 3
Surface Area 287.81 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry Cs
Synonyms
  • .beta.-carboline-3-carboxylic acid propyl ester
  • .beta.-carboline-3-carboxylic acid, propyl ester
  • 9h-$b-carboline-3-carboxylic acid propyl ester
  • 9h-pyrido(3,4-b)indole-3-carboxylic acid, propyl ester
  • 9h-pyrido[5,4-b]indole-3-carboxylic acid propyl ester
  • beta-carboline-3-carboxylic acid propyl ester
  • beta-ccp
  • biomol-nt_000275
  • bpbio1_001101
  • pbc-3-c
  • pdsp1_001761
  • pdsp2_001744
  • propyl 9h-pyrido[5,4-b]indole-3-carboxylate
  • propyl beta-carboline-3-carboxylate
CAS Number(s)
  • 76808-18-9
InChIKey WGRVAGIQTHEEQW-UHFFFAOYSA-N
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