(3R)-3-(Benzoyloxy)-4-(Trimethylammonio)Butanoate

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Properties Simple | Detailed

Formula C14H19NO4
IUPAC Name (3r)-3-benzoyloxy-4-(trimethylammonio)butanoate
Molecular Mass 265.305 g·mol−1
Heat of Formation -552.2 ± 16.7 kJ·mol−1
Dipole Moment 7.55 ± 1.08 D
Volume 325.0 Å 3
Surface Area 283.88 Å 2
HOMO Energy -7.98 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-(benzoyloxy)-4-trimethylammonio-butanoate
  • (3r)-3-(benzoyloxy)-4-trimethylammonio-butyrate
  • (3r)-3-(benzoyloxy)-4-trimethylazaniumylbutanoate
  • (3r)-3-(oxo-phenylmethoxy)-4-trimethylammoniobutanoate
  • (3r)-3-phenylcarbonyloxy-4-trimethylazaniumyl-butanoate
  • 1-propanaminium, 2-(benzoyloxy)-3-carboxy-n,n,n-trimethyl-, hydroxide, inner salt, (r)-
  • benzoylcarnitine
CAS Number(s)
  • 105450-08-6
InChIKey AWUHAZDZHNWQAG-GFCCVEGCSA-N
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