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    Technical details about CAS 627-31-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 627-31-6

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 627-31-6, Trimethylene diiodide, Propane, 1,3-diiodo-, Trimethylene iodide, K9qfa94xgy, Mfcd00001097
    Molecular Formula
    C3H6I2
    Molecular Weight
    295.89  g/mol
    InChI Key
    AAAXMNYUNVCMCJ-UHFFFAOYSA-N
    FDA UNII
    K9QFA94XGY
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,3-diiodopropane
    2.1.2 InChI
    InChI=1S/C3H6I2/c4-2-1-3-5/h1-3H2
    2.1.3 InChI Key
    AAAXMNYUNVCMCJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(CI)CI
    2.2 Other Identifiers
    2.2.1 UNII
    K9QFA94XGY
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 627-31-6

    2. Trimethylene Diiodide

    3. Propane, 1,3-diiodo-

    4. Trimethylene Iodide

    5. K9qfa94xgy

    6. Mfcd00001097

    7. Nsc-35647

    8. 1,3-diiodopropane(stabilized With Copper Chip)

    9. Einecs 210-993-4

    10. Nsc 35647

    11. Brn 1731117

    12. Ai3-52340

    13. Propane,3-diiodo-

    14. 1,3-diiodo-propane

    15. Unii-k9qfa94xgy

    16. 1,3-diiodopropane Over Cu

    17. 4-01-00-00228 (beilstein Handbook Reference)

    18. Schembl133732

    19. Dtxsid7060837

    20. Nsc35647

    21. Zinc95678990

    22. Akos015913313

    23. Cs-w012156

    24. Ds-5063

    25. Sy045006

    26. 1,3-diiodopropane(stabilizedwithcopperchip)

    27. D0611

    28. Ft-0606671

    29. 1,3-diiodopropane,contains Copper As Stabilizer

    30. A833960

    31. Q161505

    32. J-802014

    33. 1,3-diiodopropane, 99%, Contains Copper As Stabilizer

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 295.89 g/mol
    Molecular Formula C3H6I2
    XLogP33
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count2
    Exact Mass295.85590 g/mol
    Monoisotopic Mass295.85590 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count5
    Formal Charge0
    Complexity12.4
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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