Ethyl 5-Isopropoxy-4-(Methoxymethyl)-9H-β-Carboline-3-Carboxylate

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Properties Simple | Detailed

Formula C19H22N2O4
IUPAC Name ethyl 5-isopropoxy-4-(methoxymethyl)pyrido[3,4-b]indol-9-ium-3-carboxylate
Molecular Mass 342.389 g·mol−1
Heat of Formation -496.0 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 405.43 Å 3
Surface Area 340.96 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 5-isopropoxy-4-(methoxymethyl)-9h-$b-carboline-3-carboxylic acid ethyl ester
  • 5-isopropoxy-4-(methoxymethyl)-9h-pyrido[5,4-b]indole-3-carboxylic acid ethyl ester
  • 9h-pyrido(3,4-b)indole-3-carboxylic acid, 4-(methoxymethyl)-5-(1-methylethoxy)-, ethyl ester
  • ethyl 4-(methoxymethyl)-5-propan-2-yloxy-9h-pyrido[5,4-b]indole-3-carboxylate
  • ethyl 5-isopropoxy-4-(methoxymethyl)-9h-pyrido[5,4-b]indole-3-carboxylate
  • zk 95962
  • zk-95962
CAS Number(s)
  • 101071-43-6
InChIKey TXYZHYRYRRNVHR-UHFFFAOYSA-N
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