loader
Please Wait
Applying Filters...
menu
    • menu

    Technical details about CAS 36969-89-8, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

    Virtual Booth

    Contact Supplier

    Bora Pharmaceuticals- Making success more certain.

    Virtual Booth

    Contact Supplier

    Polfa Tarchomin is a leading Polish pharmaceutical company with 200 year tradition in manufacture and sale of pharmaceutical products.

    Virtual Booth

    Contact Supplier

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Virtual Booth

    Contact Supplier

    Axplora- The partner of choice for complex APIs.

    Virtual Booth

    Contact Supplier

    Fareva is a one-stop-shop for API/HPAPI, OSD & Sterile products, is USFDA, EMA and PMDA-inspected and has multiple NDA & ANDA filings.

    Virtual Booth

    Contact Supplier

    Menu

    CAS 36969-89-8

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 36969-89-8, 1-dimethoxyphosphorylheptan-2-one, Dimethyl(2-oxoheptyl)phosphonate, Dimethyl 2-oxoheptylphosphonate, Phosphonic acid, (2-oxoheptyl)-, dimethyl ester, Dimethyl (2-oxoheptyl)-phosphonate
    Molecular Formula
    C9H19O4P
    Molecular Weight
    222.22  g/mol
    InChI Key
    LQZCYXCHWNQBKX-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-dimethoxyphosphorylheptan-2-one
    2.1.2 InChI
    InChI=1S/C9H19O4P/c1-4-5-6-7-9(10)8-14(11,12-2)13-3/h4-8H2,1-3H3
    2.1.3 InChI Key
    LQZCYXCHWNQBKX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCC(=O)CP(=O)(OC)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 36969-89-8

    2. 1-dimethoxyphosphorylheptan-2-one

    3. Dimethyl(2-oxoheptyl)phosphonate

    4. Dimethyl 2-oxoheptylphosphonate

    5. Phosphonic Acid, (2-oxoheptyl)-, Dimethyl Ester

    6. Dimethyl (2-oxoheptyl)-phosphonate

    7. Einecs 253-293-4

    8. Schembl2304429

    9. Dimethyl 2-oxoheptyl Phosphonate

    10. Lqzcyxchwnqbkx-uhfffaoysa-

    11. Dtxsid30190463

    12. 2-oxoheptylphosphonic Acid Dimethyl

    13. Dimethyl-(2-oxo-heptyl)phosphonate

    14. Amy30099

    15. Bcp16204

    16. Zinc2539249

    17. Mfcd00009514

    18. Akos015899104

    19. 2-oxoheptylphosphonic Acid Dimethyl Ester

    20. Ac-30869

    21. As-61398

    22. (2-oxoheptyl)phosphonic Acid Dimethyl Ester

    23. Cs-0152335

    24. D4244

    25. Ft-0639352

    26. F52652

    27. Phosphonic Acid, P-(2-oxoheptyl)-, Dimethyl Ester

    28. Dimethyl 2-oxoheptylphosphonate, Technical Grade, 85%

    29. (r)-methyl 2-(n-((2'-(1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 222.22 g/mol
    Molecular Formula C9H19O4P
    XLogP32.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count8
    Exact Mass222.10209608 g/mol
    Monoisotopic Mass222.10209608 g/mol
    Topological Polar Surface Area52.6 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity207
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1