3-(4-{2-[6-(Dibutylamino)-2-Naphthyl]Vinyl}-1-Pyridiniumyl)-1-Propanesulfonate

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Properties Simple | Detailed

Formula C28H36N2O3S
IUPAC Name 3-[4-[(e)-2-[6-(dibutylamino)-2-naphthyl]vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate
Molecular Mass 480.662 g·mol−1
Heat of Formation -150.8 ± 16.7 kJ·mol−1
Dipole Moment 32.84 ± 1.08 D
Volume 605.13 Å 3
Surface Area 539.26 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy -3.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-sulfonatopropyl)-4-(beta)(2-(di-n-butylamino)-6-naphthylvinyl)pyridinium betaine
  • 3-[4-[(e)-2-[6-(dibutylamino)-2-naphthyl]vinyl]-1-pyridin-1-iumyl]propane-1-sulfonate
  • 3-[4-[(e)-2-[6-(dibutylamino)-2-naphthyl]vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate
  • 3-[4-[(e)-2-[6-(dibutylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate
  • 3-[4-[2-[6-(dibutylamino)-2-naphthyl]vinyl]-1-pyridin-1-iumyl]propane-1-sulfonate
  • 3-[4-[2-[6-(dibutylamino)-2-naphthyl]vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate
  • 3-[4-[2-[6-(dibutylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate
  • di-4-anepps
  • pyridinium, 4-(2-(6-(dibutylamino)-2-naphthalenyl)ethenyl)-1-(3-sulfopropyl)-, hydroxide, inner salt
CAS Number(s)
  • 90134-00-2
InChIKey HAPJROQJVSPKCJ-UHFFFAOYSA-N
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