5-{(E)-[4-(Dimethylamino)Phenyl]Diazenyl}-1,4-Dimethyl-1H-1,2,4-Triazol-4-Ium

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Properties Simple | Detailed

Formula C12H17N6+
IUPAC Name 4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-n,n-dimethylaniline
Molecular Mass 245.304 g·mol−1
Heat of Formation 2718.3 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 281.08 Å 3
Surface Area 274.21 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -2.50 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,4-triazolium, 5-((4-(dimethylamino)phenyl)azo)-1,4-dimethyl-
  • 4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]-n,n-dimethyl-aniline
  • 4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]-n,n-dimethylaniline
  • 4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-n,n-dimethyl-aniline
  • 5-((4-(dimethylamino)phenyl)azo)-1,4-dimethyl-1h-1,2,4-triazolium
  • [4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]phenyl]-dimethyl-amine
  • basic red 22
  • c.i. basic red 22
  • synacril red 3b
CAS Number(s)
  • 50813-53-1
  • 58238-73-6
  • 116844-92-9
  • 12221-52-2
InChIKey PMJXPPBTJCUKGB-UHFFFAOYSA-N
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