2-(4-Diazoniophenyl)-16,16-Dimethyl-3,12-Dioxo-13-Oxa-2,4-Diaza-16-Azoniaheptadecane

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Properties Simple | Detailed

Formula C21H35N5O3++
IUPAC Name 2-[8-[[(4-diazoniophenyl)-methyl-carbamoyl]amino]octanoyloxy]ethyl-trimethyl-ammonium
Molecular Mass 405.534 g·mol−1
Heat of Formation -238.5 ± 16.7 kJ·mol−1
Dipole Moment 13.72 ± 1.08 D
Volume 528.81 Å 3
Surface Area 385.98 Å 2
HOMO Energy -5.53 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (n'-methyl-n'-4-diazonium phenyl)(n-8-octanoic acid, 2-(trimethylammonium)ethyl ester)urea
  • 2-[8-[[(4-diazoniophenyl)-methyl-carbamoyl]amino]octanoyloxy]ethyl-trimethyl-azanium
  • 2-[8-[[(4-diazoniophenyl)-methylcarbamoyl]amino]octanoyloxy]ethyl-trimethylazanium
  • 2-[8-[[[(4-diazoniophenyl)-methylamino]-oxomethyl]amino]-1-oxooctoxy]ethyl-trimethylammonium
  • ac7 bromide
  • benzenediazonium, 4-(methyl(((8-oxo-8-(2-(trimethylammonio)ethoxy)octyl)amino)carbonyl)amino)-
CAS Number(s)
  • 123252-23-3
InChIKey PUSMFBXLQGMPJR-UHFFFAOYSA-O
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