1-N-Butyl-1,2,4-Triazole

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Properties Simple | Detailed

Formula C6H11N3
IUPAC Name 1-butyl-1,2,4-triazole
Molecular Mass 125.172 g·mol−1
Heat of Formation 138.1 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 169.99 Å 3
Surface Area 175.79 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 1-butyl-1,2,4(1h)-triazole
  • 1-butyl-1h-1,2,4-triazole
CAS Number(s)
  • 6086-22-2
InChIKey NSGZEKTXHYHICN-UHFFFAOYSA-N
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DOI
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Elements H C N