Ethyl 4-(Methoxymethyl)-6-Propoxy-9H-β-Carboline-3-Carboxylate

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Properties Simple | Detailed

Formula C19H22N2O4
IUPAC Name ethyl 4-(methoxymethyl)-6-propoxy-pyrido[3,4-b]indol-9-ium-3-carboxylate
Molecular Mass 342.389 g·mol−1
Heat of Formation -483.5 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 412.27 Å 3
Surface Area 366.28 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(methoxymethyl)-6-propoxy-9h-$b-carboline-3-carboxylic acid ethyl ester
  • 4-(methoxymethyl)-6-propoxy-9h-pyrido[5,4-b]indole-3-carboxylic acid ethyl ester
  • 6-pbc
  • 6-propoxy-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester
  • 9h-pyrido(3,4-b)indole-3-carboxylic acid, 4-(methoxymethyl)-6-propoxy-, ethyl ester
  • ethyl 4-(methoxymethyl)-6-propoxy-9h-pyrido[5,4-b]indole-3-carboxylate
  • pdsp1_001753
  • pdsp2_001736
CAS Number(s)
  • 135531-42-9
InChIKey WRXDVVALWQGPMW-UHFFFAOYSA-N
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