7,8,10-Trimethylpyrimido[4,5-B]Quinoline-2,4(3H,10H)-Dione

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Properties Simple | Detailed

Formula C14H14N3O2++
IUPAC Name 7,8,10-trimethylpyrimido[4,5-b]quinolin-10-ium-1-ide-2,4-dione
Molecular Mass 256.280 g·mol−1
Heat of Formation -185.5 ± 16.7 kJ·mol−1
Dipole Moment 10.38 ± 1.08 D
Volume 290.74 Å 3
Surface Area 267.7 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry Cs
Synonyms
  • 5-deazalumiflavin
  • 7,8,10-trimethylpyrimido[6,5-b]quinoline-2,4-dione
  • 7,8,10-trimethylpyrimido[6,5-b]quinoline-2,4-quinone
  • pyrimido(4,5-b)quinoline-2,4(3h,10h)-dione, 7,8,10-trimethyl-
CAS Number(s)
  • 61696-29-5
InChIKey SEHIHXCTAZRBJE-UHFFFAOYSA-N
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