Cas no 13868-70-7 (Phosphonic acid,[(methylimino)bis(methylene)]bis-, trisodium salt (9CI))

Phosphonic acid,[(methylimino)bis(methylene)]bis-, trisodium salt (9CI) structure
13868-70-7 structure
Product Name:Phosphonic acid,[(methylimino)bis(methylene)]bis-, trisodium salt (9CI)
CAS No:13868-70-7
MF:C3H8NNa3O6P2
MW:285.015555381775
CID:174389
PubChem ID:44152403
Update Time:2025-04-19

Phosphonic acid,[(methylimino)bis(methylene)]bis-, trisodium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid,[(methylimino)bis(methylene)]bis-, trisodium salt (9CI)
    • trisodium hydrogen [(methylimino)dimethylene]diphosphonate
    • trisodium,hydroxy-[[methyl(phosphonatomethyl)amino]methyl]phosphinate
    • EINECS 237-616-6
    • Phosphonicacid,[(methylimino)dimethylene]di-,trisodium salt (8CI)
    • Trisodium hydrogen ((methylimino)dimethylene)diphosphonate
    • (Methyliminobismethylenebisphosphonic acid)O,O,O'-trisodium salt
    • 13868-70-7
    • trisodium;hydroxy-[[methyl(phosphonatomethyl)amino]methyl]phosphinate
    • DTXSID50930186
    • Trisodium hydrogen[(methylimino)dimethylene]diphosphonate
    • Trisodium ({[(hydroxyphosphinato)methyl](methyl)amino}methyl)phosphonate
    • Inchi: 1S/C3H11NO6P2.3Na/c1-4(2-11(5,6)7)3-12(8,9)10;;;/h2-3H2,1H3,(H2,5,6,7)(H2,8,9,10);;;/q;3*+1/p-3
    • InChI Key: MIEXMTGLZIWATN-UHFFFAOYSA-K
    • SMILES: P(CN(C)CP(=O)([O-])[O-])(=O)([O-])O.[Na+].[Na+].[Na+]

Computed Properties

  • Exact Mass: 284.95200
  • Monoisotopic Mass: 284.95199382g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 215
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 127?2

Experimental Properties

  • PSA: 146.41000
  • LogP: 0.50320
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