3-(4-{[Benzyl(Methyl)Amino]Methyl}Phenyl)-6,7-Dimethoxy-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C26H26NO4+
IUPAC Name 3-[4-[[benzyl(methyl)amino]methyl]phenyl]-6,7-dimethoxy-chromen-2-one
Molecular Mass 416.489 g·mol−1
Heat of Formation -247.1 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 503.53 Å 3
Surface Area 441.37 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[4-[(benzyl-methyl-amino)methyl]phenyl]-6,7-dimethoxy-coumarin
  • 6,7-dimethoxy-3-[4-[(methyl-(phenylmethyl)amino)methyl]phenyl]-2-chromenone
  • 6,7-dimethoxy-3-[4-[(methyl-(phenylmethyl)amino)methyl]phenyl]chromen-2-one
InChIKey KXMCSAUVAHKCOR-UHFFFAOYSA-N
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