Cas no 83846-92-8 (2-hydroxyethyl-trimethyl-ammonium phosphate)

2-hydroxyethyl-trimethyl-ammonium phosphate structure
83846-92-8 structure
Product Name:2-hydroxyethyl-trimethyl-ammonium phosphate
CAS No:83846-92-8
MF:C5H16NO5P
MW:201.158002853394
MDL:MFCD00050268
CID:727759
PubChem ID:150067
Update Time:2025-04-19

2-hydroxyethyl-trimethyl-ammonium phosphate Chemical and Physical Properties

Names and Identifiers

    • 2-Hydroxy-N,N,N-trimethylethanaminium dihydrogenphosphate
    • choline dihydrogen phosphate
    • CHOLINE PHOSPHATE
    • 2-hydroxyethyl(trimethyl)azanium
    • EINECS 281-072-2
    • 2-hydroxyethyl-trimethyl-ammonium phosphate
    • ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, PHOSPHATE (1:1)
    • MFCD00050268
    • ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, PHOSPHATE (1:1) (SALT)
    • dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium
    • D53S359B6B
    • SCHEMBL316336
    • Choline dihydrogen phosphate,>98%
    • DTXSID00232748
    • Q27276108
    • 83846-92-8
    • 2-Hydroxy-N,N,N-trimethylethanaminiumdihydrogenphosphate
    • (2-hydroxyethyl)trimethylammonium dihydrogen phosphate
    • UNII-D53S359B6B
    • AKOS016003249
    • MDL: MFCD00050268
    • Inchi: 1S/C5H14NO.H3O4P/c1-6(2,3)4-5-7;1-5(2,3)4/h7H,4-5H2,1-3H3;(H3,1,2,3,4)/q+1;/p-1
    • InChI Key: LPPJNZJBKFSQGA-UHFFFAOYSA-M
    • SMILES: P(=O)([O-])(O)O.OCC[N+](C)(C)C

Computed Properties

  • Exact Mass: 201.07700
  • Monoisotopic Mass: 201.077
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 96.3
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 101A^2

Experimental Properties

  • PSA: 110.63000
  • LogP: -0.80550

2-hydroxyethyl-trimethyl-ammonium phosphate Pricemore >>

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