Cas no 94023-07-1 (Phosphonic acid,[1,2-ethanediylbis[[(phosphonomethyl)imino]-2,1-ethanediylnitrilobis(methylene)]]tetrakis-,hexaammonium salt (9CI))

Phosphonic acid,[1,2-ethanediylbis[[(phosphonomethyl)imino]-2,1-ethanediylnitrilobis(methylene)]]tetrakis-,hexaammonium salt (9CI) structure
94023-07-1 structure
Product Name:Phosphonic acid,[1,2-ethanediylbis[[(phosphonomethyl)imino]-2,1-ethanediylnitrilobis(methylene)]]tetrakis-,hexaammonium salt (9CI)
CAS No:94023-07-1
MF:C12H54N10O18P6
MW:812.455927371979
CID:807492
PubChem ID:56841268
Update Time:2025-04-19

Phosphonic acid,[1,2-ethanediylbis[[(phosphonomethyl)imino]-2,1-ethanediylnitrilobis(methylene)]]tetrakis-,hexaammonium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid,[1,2-ethanediylbis[[(phosphonomethyl)imino]-2,1-ethanediylnitrilobis(methylene)]]tetrakis-,hexaammonium salt (9CI)
    • hexaammonium hexahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate
    • hexaazanium,N,N'-bis[2-[bis(phosphonatomethyl)amino]ethyl]-N,N'-bis(phosphonatomethyl)ethane-1,2-diamine,hydron
    • DTXSID10240293
    • Phosphonic acid, (1,2-ethanediylbis(((phosphonomethyl)imino)-2,1-ethanediylnitrilobis(methylene)))tetrakis-, hexaammonium salt
    • Hexaammonium hexahydrogen (ethane-1,2-diylbis(((phosphonatomethyl)imino)ethane-2,1-diylnitrilobis(methylene)))tetrakisphosphonate
    • EINECS 301-602-9
    • 94023-07-1
    • Inchi： 1S/C12H36N4O18P6.6H3N/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);6*1H3
    • InChI Key： BNVPFRHEZNXYEG-UHFFFAOYSA-N
    • SMILES： P(CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[H+].[H+].[H+].[H+].[H+].[H+]

Computed Properties

  • Exact Mass: 812.20432690g/mol
  • Monoisotopic Mass: 812.20432690g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 12
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 46
  • Rotatable Bond Count: 15
  • Complexity: 872
  • Covalently-Bonded Unit Count: 13
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 398?2

Phosphonic acid,[1,2-ethanediylbis[[(phosphonomethyl)imino]-2,1-ethanediylnitrilobis(methylene)]]tetrakis-,hexaammonium salt (9CI) Related Literature

94023-07-1 (Phosphonic acid,[1,2-ethanediylbis[[(phosphonomethyl)imino]-2,1-ethanediylnitrilobis(methylene)]]tetrakis-,hexaammonium salt (9CI)) Related Products

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