3-(Trimethylammonio)Propyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C6H16NO4P
IUPAC Name 3-(trimethylammonio)propyl hydrogen phosphate
Molecular Mass 197.169 g·mol−1
Heat of Formation -863.9 ± 16.7 kJ·mol−1
Dipole Moment 26.26 ± 1.08 D
Volume 236.31 Å 3
Surface Area 227.63 Å 2
HOMO Energy -7.46 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • 1-propanaminium, n,n,n-trimethyl-3-(phosphonooxy)-, hydroxide, inner salt
  • 3-trimethylammoniopropyl hydrogen phosphate
  • 3-trimethylazaniumylpropyl hydrogen phosphate
  • phosphorylhomocholine
CAS Number(s)
  • 53218-02-3
InChIKey QAOGRXNRTKIVKJ-UHFFFAOYSA-N
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