Cas no 14989-27-6 (Phosphoric acid-d3,mono(ammonium-d4) salt (8CI,9CI))

Phosphoric acid-d3,mono(ammonium-d4) salt (8CI,9CI) structure
14989-27-6 structure
Product Name:Phosphoric acid-d3,mono(ammonium-d4) salt (8CI,9CI)
CAS No:14989-27-6
MF:H6NO4P
MW:121.06267118454
CID:120749
PubChem ID:16212163
Update Time:2025-04-18

Phosphoric acid-d3,mono(ammonium-d4) salt (8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • Phosphoric acid-d3,mono(ammonium-d4) salt (8CI,9CI)
    • Ammonium-d4 dideuteriumphosphate
    • Ammoniumdihydrogenphosphate-d6
    • AMMONIUM-D4 DIDEUTERIUMPHOSPHATE, 99 ATO M % D
    • DTXSID20583567
    • 14989-27-6
    • (~2~H_3_)Phosphoric acid--(~2~H_3_)ammonia (1/1)
    • Inchi: 1S/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)/i/hD6
    • InChI Key: LFVGISIMTYGQHF-YIKVAAQNSA-N
    • SMILES: P(=O)(O[2H])(O[2H])O[2H].N([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 127.07872
  • Monoisotopic Mass: 121.04110515g/mol
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 49.8
  • 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: 78.8?2

Experimental Properties

  • Melting Point: 195-197?°C(lit.)
  • PSA: 48
  • LogP: -0.60470

Phosphoric acid-d3,mono(ammonium-d4) salt (8CI,9CI) Security Information

  • WGK Germany:3
  • Hazard Category Code: 20/21/22
  • Safety Instruction: 36
  • Hazardous Material Identification: Xn
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