N''-[(E)-{4-[(3-Hydroxy-4-Propionyl-2-Propylbenzyl)Oxy]Phenyl}Methylene]Carbonohydrazonic Diamide

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Properties Simple | Detailed

Formula C21H26N4O3
IUPAC Name 2-[(e)-[4-[(3-hydroxy-4-propanoyl-2-propyl-phenyl)methoxy]phenyl]methyleneamino]guanidine
Molecular Mass 382.456 g·mol−1
Heat of Formation -268.6 ± 16.7 kJ·mol−1
Dipole Moment 0.78 ± 1.08 D
Volume 467.4 Å 3
Surface Area 410.54 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[4-(3-hydroxy-4-propionyl-2-propyl-benzyl)oxybenzylidene]amino]guanidine
  • 2-[[4-[(3-hydroxy-4-propanoyl-2-propyl-phenyl)methoxy]phenyl]methyleneamino]guanidine
  • 2-[[4-[(3-hydroxy-4-propanoyl-2-propyl-phenyl)methoxy]phenyl]methylideneamino]guanidine
  • 2-[[4-[(3-hydroxy-4-propanoyl-2-propylphenyl)methoxy]phenyl]methylideneamino]guanidine
  • 2-[[4-[[3-hydroxy-4-(1-oxopropyl)-2-propylphenyl]methoxy]phenyl]methyleneamino]guanidine
  • pdsp1_001629
  • pdsp2_001613
InChIKey TUJFUBGJRSXFHG-WYMPLXKRSA-N
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