2,2'-{[(3-Aminobenzyl)Imino]Bis(2,1-Ethanediyliminomethylene)}Diphenol

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Properties Simple | Detailed

Formula C25H32N4O2
IUPAC Name 2-[[2-[(3-aminophenyl)methyl-[2-[(2-hydroxyphenyl)methylamino]ethyl]amino]ethylamino]methyl]phenol
Molecular Mass 420.547 g·mol−1
Heat of Formation -89.1 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 532.86 Å 3
Surface Area 454.42 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1,7-bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine
  • 2,2'-((((4-aminophenyl)methyl)imino)bis(2,1-ethanediyliminomethylene))bisphenol
  • 2-[[2-[(3-aminobenzyl)-[2-[(2-hydroxybenzyl)amino]ethyl]amino]ethylamino]methyl]phenol
  • bhabdt
  • phenol, 2,2'-((((4-aminophenyl)methyl)imino)bis(2,1-ethanediyliminomethylene))bis-
CAS Number(s)
  • 127381-59-3
InChIKey JDZJILIYTAHAHG-UHFFFAOYSA-N
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