(3S)-3-(Butyryloxy)-4-(Trimethylammonio)Butanoate

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Properties Simple | Detailed

Formula C11H21NO4
IUPAC Name (3s)-3-butanoyloxy-4-(trimethylammonio)butanoate
Molecular Mass 231.289 g·mol−1
Heat of Formation -734.2 ± 16.7 kJ·mol−1
Dipole Moment 12.52 ± 1.08 D
Volume 293.16 Å 3
Surface Area 262.77 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-(1-oxobutoxy)-4-trimethylammoniobutanoate
  • (3s)-3-butanoyloxy-4-trimethylammonio-butanoate
  • (3s)-3-butanoyloxy-4-trimethylazaniumyl-butanoate
  • (3s)-3-butanoyloxy-4-trimethylazaniumylbutanoate
  • (3s)-3-butyryloxy-4-trimethylammonio-butyrate
  • ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, butyrate, d-
  • d-(3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt butyrate
CAS Number(s)
  • 25518-46-1
InChIKey QWYFHHGCZUCMBN-VIFPVBQESA-N
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