(S)-1,2,3,4-Tetrahydro-6,7-Dimethoxy-2-Methyl-1-Isoquinolinemethanol

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Properties Simple | Detailed

Formula C13H19NO3
IUPAC Name [(1s,2r)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methanol
Molecular Mass 237.295 g·mol−1
Heat of Formation -410.3 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 293.43 Å 3
Surface Area 264.25 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 1-isoquinolinemethanol, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, (s)-
  • [(1s)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methanol
  • n-methylcalycotomine
CAS Number(s)
  • 97549-54-7
InChIKey MPQNKXAKACYHDY-LLVKDONJSA-N
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