4,5,6,7-Tetrachloro-2-Methyl-2-(2-(Trimethylammonio)Ethyl)Isoindolinium

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Properties Simple | Detailed

Formula C14H20Cl4N2++
IUPAC Name trimethyl-[2-(4,5,6,7-tetrachloro-2-methyl-isoindolin-2-ium-2-yl)ethyl]ammonium
Molecular Mass 358.134 g·mol−1
Heat of Formation -17.9 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 417.47 Å 3
Surface Area 353.6 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
Synonyms
  • isoindolinium, 4,5,6,7-tetrachloro-2-methyl-2-(2-(trimethylammonio)ethyl)-
  • pdsp1_000172
  • pdsp2_000171
  • tocris-1001
  • trimethyl-[2-(4,5,6,7-tetrachloro-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)ethyl]azanium
  • trimethyl-[2-(4,5,6,7-tetrachloro-2-methyl-2-isoindolin-2-iumyl)ethyl]ammonium
CAS Number(s)
  • 7701-62-4
InChIKey IXWDUZLHWJKVPX-UHFFFAOYSA-N
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Elements H C N Cl