3-Butyl[1,3,5]Triazino[1,2-A]Benzimidazole-2,4(3H,10H)-Dione

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Properties Simple | Detailed

Formula C13H14N4O2
IUPAC Name 3-butyl-10h-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione
Molecular Mass 258.276 g·mol−1
Heat of Formation -166.4 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 297.43 Å 3
Surface Area 276.41 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,5-triazino(1,2-a)benzimidazole-2,4(1h,3h)-dione, 3-butyl-
  • 3-butyl-10h-[1,3,5]triazino[6,1-b]benzimidazole-2,4-quinone
  • 3-butyl-2,4-dioxo(1,2-a)-s-triazinobenzimidazole
CAS Number(s)
  • 132827-25-9
  • 41136-38-3
InChIKey BMENGGSVYVKZLZ-UHFFFAOYSA-N
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