1H,7H-Pyrazolo(1,2-A)Pyrazole-3-Methanaminium, 5-(Bromomethyl)-N,N,N,2,6-Pentamethyl-1,7-Dioxo-

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Formula C13H19BrN3O2+
IUPAC Name [7-(bromomethyl)-2,6-dimethyl-3,5-dioxo-pyrazolo[1,2-a]pyrazol-1-yl]methyl-trimethyl-ammonium
Molecular Mass 329.213 g·mol−1
Heat of Formation 1764.7 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 282.55 Å 3
Surface Area 255.13 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 3,7-dimethyl-4-bromomethyl-6-trimethylammoniomethyl-1,5-diazabicyclo(3.3.0)octa-3,6-diene-2,8-dione
  • [7-(bromomethyl)-2,6-dimethyl-3,5-dioxo-1-pyrazolo[1,2-a]pyrazolyl]methyl-trimethylammonium
  • [7-(bromomethyl)-2,6-dimethyl-3,5-dioxo-pyrazolo[1,2-a]pyrazol-1-yl]methyl-trimethyl-ammonium
  • [7-(bromomethyl)-2,6-dimethyl-3,5-dioxo-pyrazolo[1,2-a]pyrazol-1-yl]methyl-trimethyl-azanium
  • [7-(bromomethyl)-3,5-diketo-2,6-dimethyl-pyrazolo[1,2-a]pyrazol-1-yl]methyl-trimethyl-ammonium
  • bromotrimethylammoniobimane
  • btmab
  • monobromotrimethylammoniobimane
  • thiolyte monoquat
CAS Number(s)
  • 75403-48-4
InChIKey FGIBLIQLKYAGPD-UHFFFAOYSA-N
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Elements C O Br N