3-(N,N-Dimethyloctylammonio)Propanesulfonate Inner Salt

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Properties Simple | Detailed

Formula C13H29NO3S
IUPAC Name 3-[dimethyl(octyl)ammonio]propane-1-sulfonate
Molecular Mass 279.439 g·mol−1
Heat of Formation -618.9 ± 16.7 kJ·mol−1
Dipole Moment 14.06 ± 1.08 D
Volume 362.36 Å 3
Surface Area 321.99 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 1-octanaminium, n,n-dimethyl-n-(3-sulfopropyl)-, hydroxide, inner salt
  • 3-(dimethyl-octyl-ammonio)propane-1-sulfonate
  • 3-(dimethyl-octyl-azaniumyl)propane-1-sulfonate
  • 3-(dimethyl-octylammonio)propane-1-sulfonate
  • 3-(n,n-dimethyloctylammonio)propanesulfonate
  • 3dp
  • octyl sulfobetaine
  • sb3-8
CAS Number(s)
  • 15178-76-4
InChIKey QZRAABPTWGFNIU-UHFFFAOYSA-N
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