2-[(4-Aminobutanoyl)Oxy]-N,N,N-Trimethylethanaminium

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Properties Simple | Detailed

Formula C9H21N2O2+
IUPAC Name 2-(4-aminobutanoyloxy)ethyl-trimethylazanium
Molecular Mass 189.275 g·mol−1
Heat of Formation 1248.4 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 204.21 Å 3
Surface Area 220.39 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-amino-1-oxobutoxy)ethyl-trimethylammonium
  • 2-(4-aminobutanoyloxy)ethyl-trimethyl-ammonium
  • 2-(4-aminobutanoyloxy)ethyl-trimethyl-azanium
  • ethanaminium, 2-(4-amino-1-oxobutoxy)-n,n,n-trimethyl-
  • gamma-aminobutyrylcholine
CAS Number(s)
  • 541-18-4
InChIKey OOIACSCGKZSYOU-UHFFFAOYSA-N
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