Cas no 4971-47-5 (Phosphoric acid,bis(2-ethylhexyl) ester, ammonium salt (1:1))

Phosphoric acid,bis(2-ethylhexyl) ester, ammonium salt (1:1) structure
4971-47-5 structure
Product Name:Phosphoric acid,bis(2-ethylhexyl) ester, ammonium salt (1:1)
CAS No:4971-47-5
MF:C16H38NO4P
MW:339.450986385345
CID:329366
PubChem ID:160772
Update Time:2025-04-19

Phosphoric acid,bis(2-ethylhexyl) ester, ammonium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Phosphoric acid,bis(2-ethylhexyl) ester, ammonium salt (1:1)
    • ammonium bis(2-ethylhexyl) phosphate
    • 1-Hexanol,2-ethyl-, hydrogen phosphate, ammonium salt (7CI)
    • Phosphoric acid,bis(2-ethylhexyl) ester, ammonium salt (8CI,9CI)
    • Ammonium di-2-ethylhexyl phosphate
    • azanium;bis(2-ethylhexyl) phosphate
    • Ammonium bis(2-ethylhexyl)phosphate
    • Phosphoric acid, di-2-ethylhexyl ester, ammonium salt
    • DTXSID20884122
    • SCHEMBL1498179
    • Phosphoric acid, bis(2-ethylhexyl) ester, ammonium salt (1:1)
    • AIJDCDQXDPERNG-UHFFFAOYSA-N
    • EINECS 225-615-3
    • ammonium di-(2-ethyl-hexyl)phosphate
    • NS00081654
    • 4971-47-5
    • Phosphoric acid, bis(2-ethylhexyl) ester, ammonium salt
    • ammonium di(2-ethylhexyl) phosphate
    • Inchi: 1S/C16H35O4P.H3N/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,17,18);1H3
    • InChI Key: AIJDCDQXDPERNG-UHFFFAOYSA-N
    • SMILES: P(=O)([O-])(OCC(CC)CCCC)OCC(CC)CCCC.[NH4+]

Computed Properties

  • Exact Mass: 339.25384569g/mol
  • Monoisotopic Mass: 339.25384569g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 14
  • Complexity: 251
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 59.6?2

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