8-((Bis(2-Hydroxyethyl)Amino)Methyl)-6,7-Dihydroxy-4-Methylcoumarin

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Properties Simple | Detailed

Formula C15H19NO6
IUPAC Name 8-[[bis(2-hydroxyethyl)amino]methyl]-6,7-dihydroxy-4-methyl-chromen-2-one
Molecular Mass 309.314 g·mol−1
Heat of Formation -916.9 ± 16.7 kJ·mol−1
Dipole Moment 7.23 ± 1.08 D
Volume 364.24 Å 3
Surface Area 312.84 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 8-((bis(2-hydroxyethyl)amino)methyl)-6,7-dihydroxy-4-methyl-2h-1-benzopyran-2-one
  • 8-[(bis(2-hydroxyethyl)amino)methyl]-6,7-dihydroxy-4-methyl-2-chromenone
  • 8-[(bis(2-hydroxyethyl)amino)methyl]-6,7-dihydroxy-4-methyl-chromen-2-one
  • 8-[(bis(2-hydroxyethyl)amino)methyl]-6,7-dihydroxy-4-methyl-coumarin
  • 8-[(bis(2-hydroxyethyl)amino)methyl]-6,7-dihydroxy-4-methylchromen-2-one
  • cbdive_013310
  • esculamine
InChIKey VQSXXDXNONIOGW-UHFFFAOYSA-N
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