Cas no 3616-04-4 (Ethanaminium, N,N,N-trimethyl-2-(phosphonooxy)-)

Ethanaminium, N,N,N-trimethyl-2-(phosphonooxy)- structure
3616-04-4 structure
Product Name:Ethanaminium, N,N,N-trimethyl-2-(phosphonooxy)-
CAS No:3616-04-4
MF:C5H15NO4P
MW:184.150662660599
CID:1473213
PubChem ID:1014
Update Time:2025-04-20

Ethanaminium, N,N,N-trimethyl-2-(phosphonooxy)- Chemical and Physical Properties

Names and Identifiers

    • Ethanaminium, N,N,N-trimethyl-2-(phosphonooxy)-
    • Phosphorylcholine
    • choline phosphate
    • phosphoryl-choline
    • trimethyl(2-phosphonooxyethyl)azanium
    • FT-0778234
    • CHEBI:18132
    • SCHEMBL8012
    • Choline, dihydrogen phosphate (ester) (8CI)
    • Phosphocholine cation
    • phosphocholine
    • YHHSONZFOIEMCP-UHFFFAOYSA-O
    • N,N,N-trimethyl-2-(phosphonooxy)ethanaminium
    • Chloride, Choline Phosphate
    • C00588
    • O-Phosphocholine
    • N-Trimethyl-2-aminoethylphosphonate
    • CHEMBL1235161
    • DTXSID30861727
    • 3616-04-4
    • Trimethyl(2-(phosphonooxy)ethyl)ammonium
    • Epitope ID:115009
    • CHOP
    • DB03945
    • Q576895
    • NS00068575
    • N,N,N-Trimethyl-2-(phosphonooxy)ethan-1-aminium
    • Phosphorylcholine (Phosphocholine)
    • DB-264639
    • Inchi: 1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
    • InChI Key: YHHSONZFOIEMCP-UHFFFAOYSA-O
    • SMILES: P(=O)(O)(O)OCC[N+](C)(C)C

Computed Properties

  • Exact Mass: 184.07395
  • Monoisotopic Mass: 184.07386996g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 158
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.5
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • PSA: 66.76

Ethanaminium, N,N,N-trimethyl-2-(phosphonooxy)- Pricemore >>

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