2,11-Dimethoxy-6Aa-Aporphin-1-Ol

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Properties Simple | Detailed

Formula C19H21NO3
IUPAC Name (7s,8s)-2,14-dimethoxy-7-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-1-ol
Molecular Mass 311.375 g·mol−1
Heat of Formation -281.1 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 371.45 Å 3
Surface Area 316.39 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (6as)-2,11-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolin-1-ol
  • 1-hydroxy-2,11-dimethoxyaporphine
  • 2,11-dimethoxy-1-hydroxyaporphine
  • 4h-dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2,11-dimethoxy-6-methyl-, (s)-
  • 4h-dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2,11-dimethoxy-6-methyl-, (s)- (9ci)
  • 6a-alpha-aporphin-1-ol, 2,11-dimethoxy-
  • 6aalpha-aporphin-1-ol, 2,11-dimethoxy- (8ci)
  • isothebaine
CAS Number(s)
  • 568-21-8
InChIKey RQCOQZNIQLKGTN-ZDUSSCGKSA-N
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