4-(1-Methyl-3-(6-Oxo-6-(2-(Trimethylammonio)Ethoxy)Hexyl)Ureido)Benzenediazonium

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Properties Simple | Detailed

Formula C19H31N5O3++
IUPAC Name 2-[6-[[(4-diazoniophenyl)-methyl-carbamoyl]amino]hexanoyloxy]ethyl-trimethyl-ammonium
Molecular Mass 377.481 g·mol−1
Heat of Formation -210.7 ± 16.7 kJ·mol−1
Dipole Moment 13.04 ± 1.08 D
Volume 482.58 Å 3
Surface Area 353.87 Å 2
HOMO Energy -5.98 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
Synonyms
  • (n'-methyl,n'-4-diazonium phenyl)(n-6-hexanoic acid, 2-(trimethylammonium)ethyl ester)urea
  • 2-[6-[[(4-diazoniophenyl)-methyl-carbamoyl]amino]hexanoyloxy]ethyl-trimethyl-azanium
  • 2-[6-[[(4-diazoniophenyl)-methylcarbamoyl]amino]hexanoyloxy]ethyl-trimethylazanium
  • 2-[6-[[[(4-diazoniophenyl)-methylamino]-oxomethyl]amino]-1-oxohexoxy]ethyl-trimethylammonium
  • ac5 bromide
CAS Number(s)
  • 123252-20-0
InChIKey MSRHGWSPZIPXHE-UHFFFAOYSA-O
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