1,2,4-Benzotriazin-3-Amine 1-Oxide

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Properties Simple | Detailed

Formula C7H6N4O
IUPAC Name 1-oxido-1,2,4-benzotriazin-1-ium-3-amine
Molecular Mass 162.149 g·mol−1
Heat of Formation 298.8 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 173.99 Å 3
Surface Area 177.59 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry Cs
Synonyms
  • (1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amine
  • 1,2,4-benzotriazine, 3-amino-, 1-oxide
  • 3-amino-1,2,4-benzotriazine 1-oxide
  • sr 4317
CAS Number(s)
  • 5424-06-6
InChIKey BBRWGJRKAHEZBG-UHFFFAOYSA-N
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