2-(1H-1,2,4-Triazol-3-Yl)Ethanamine

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Properties Simple | Detailed

Formula C4H8N4
IUPAC Name 2-(4-aza-2-azonia-1-azanidacyclopenta-2,4-dien-3-yl)ethanamine
Molecular Mass 112.133 g·mol−1
Heat of Formation 184.8 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 141.5 Å 3
Surface Area 151.31 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 3.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2h-1,2,4-triazol-3-yl)ethanamine
  • 2-(2h-1,2,4-triazol-3-yl)ethylamine
  • 3beta-aminoethyl-1,2,4-triazole
  • compound 16683
  • iem 760
CAS Number(s)
  • 7728-75-8
InChIKey GQJKIUVXXQXJFO-UHFFFAOYSA-N
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Elements H C N