N,N,N',N'-Tetramethyl-N,N'-Bis[3-(4-Methyl-1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)Propyl]-1,6-Hexanediaminium

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Properties Simple | Detailed

Formula C27H21N4O4
IUPAC Name 1-[3-(aziridin-1-yl)prop-2-ynyl]-3,4-dimethylene-pyrrolidine-2,5-dione; hepta-1,3,5-triyne; 3-(3-methylene-2,5-dioxo-pyrrolidin-1-yl)prop-1-ynyl-methylidyne-ammonium
Molecular Mass 465.480 g·mol−1
Heat of Formation 3862.2 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 571.56 Å 3
Surface Area 457.28 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(1,3-diketo-4-methyl-isoindolin-2-yl)propyl-[6-[3-(1,3-diketo-4-methyl-isoindolin-2-yl)propyl-dimethyl-ammonio]hexyl]-dimethyl-ammonium
  • 6-[dimethyl-[3-(4-methyl-1,3-dioxo-2-isoindolinyl)propyl]ammonio]hexyl-dimethyl-[3-(4-methyl-1,3-dioxo-2-isoindolinyl)propyl]ammonium
  • 6-[dimethyl-[3-(4-methyl-1,3-dioxo-isoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxo-isoindol-2-yl)propyl]azanium
  • 6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium
InChIKey HMXRJKOINNJHNS-UHFFFAOYSA-N
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