1-(P-Methoxybenzyl)-6,7-Methylenedioxyisoquinoline

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Properties Simple | Detailed

Formula C18H15NO3
IUPAC Name 5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline
Molecular Mass 293.317 g·mol−1
Heat of Formation -153.7 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 338.65 Å 3
Surface Area 303.05 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dioxolo(4,5-g)isoquinoline, 5-((4-methoxyphenyl)methyl)-
  • 1,3-dioxolo[4,5-g]isoquinoline, 5-[(4-methoxyphenyl)methyl]-
  • 1-(4-methoxybenzyl)-6,7-methylenedioxyisoquinoline
  • 5-(4-methoxybenzyl)-[1,3]dioxolo[4,5-g]isoquinoline
  • 5-(4-methoxybenzyl)[1,3]dioxolo[4,5-g]isoquinoline
CAS Number(s)
  • 55857-56-2
InChIKey SJQUHHVDBQGYPL-UHFFFAOYSA-N
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