1-Methylisoquinoline

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Properties Simple | Detailed

Formula C10H9N
IUPAC Name 1-methylisoquinoline
Molecular Mass 143.185 g·mol−1
Heat of Formation 162.9 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 181.0 Å 3
Surface Area 178.67 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry Cs
Synonyms
  • isoquinaldine
  • isoquinoline, 1-methyl-
  • isoquinoline, 1-methyl- (8ci)(9ci)
CAS Number(s)
  • 58853-80-8
  • 1721-93-3
InChIKey PBYMYAJONQZORL-UHFFFAOYSA-N
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Elements H C N