Cas no 93939-96-9 (Phosphonic acid,[[(phosphonomethyl)imino]bis[2,1-ethanediyl[(phosphonomethyl)imino]-2,1-ethanediylnitrilobis(methylene)]]tetrakis-,heptaammonium salt (9CI))

Phosphonic acid,[[(phosphonomethyl)imino]bis[2,1-ethanediyl[(phosphonomethyl)imino]-2,1-ethanediylnitrilobis(methylene)]]tetrakis-,heptaammonium salt (9CI) structure
93939-96-9 structure
Product Name:Phosphonic acid,[[(phosphonomethyl)imino]bis[2,1-ethanediyl[(phosphonomethyl)imino]-2,1-ethanediylnitrilobis(methylene)]]tetrakis-,heptaammonium salt (9CI)
CAS No:93939-96-9
MF:C15H65N12O21P7
MW:966.560728788376
CID:804206
PubChem ID:56844016
Update Time:2025-04-19

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

Names and Identifiers

    • Phosphonic acid,[[(phosphonomethyl)imino]bis[2,1-ethanediyl[(phosphonomethyl)imino]-2,1-ethanediylnitrilobis(methylene)]]tetrakis-,heptaammonium salt (9CI)
    • heptaammonium heptahydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate
    • heptaazanium,N'-[2-[bis(phosphonatomethyl)amino]ethyl]-N-[2-[2-[bis(phosphonatomethyl)amino]ethyl-(phosphonatomethyl)amino]ethyl]-N,N'-bis(phosphonatomethyl)ethane-1,2-diamine,hydron
    • EINECS 300-387-9
    • 93939-96-9
    • Phosphonic acid, (((phosphonomethyl)imino)bis(2,1-ethanediyl((phosphonomethyl)imino)-2,1-ethanediylnitrilobis(methylene)))tetrakis-, heptaammonium salt
    • Heptaammonium (((phosphonatomethyl)imino)bis(ethane-2,1-diyl((phosphonatomethyl)imino)ethane-2,1-diylnitrilobis(methylene)))tetrakisphosphonate
    • Inchi： 1S/C15H44N5O21P7.7H3N/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);7*1H3
    • InChI Key： PYRZSXLCOVQQBH-UHFFFAOYSA-N
    • SMILES： P(CN(CCN(CP(=O)([O-])[O-])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+].[NH4+].[H+].[H+].[H+].[H+].[H+].[H+].[H+]

Computed Properties

  • Exact Mass: 631.55396
  • Monoisotopic Mass: 631.55396
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 45
  • Rotatable Bond Count: 34
  • Complexity: 761
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 68.1

Experimental Properties

  • PSA: 510.26000
  • LogP: -1.28990

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

93939-96-9 (Phosphonic acid,[[(phosphonomethyl)imino]bis[2,1-ethanediyl[(phosphonomethyl)imino]-2,1-ethanediylnitrilobis(methylene)]]tetrakis-,heptaammonium salt (9CI)) Related Products

Recommended suppliers
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.