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    Technical details about CAS-638-45-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS-638-45-9

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    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: 638-45-9, Hexyl iodide, N-hexyl iodide, Hexane, 1-iodo-, 1-hexyl iodide, Iodohexane
    Molecular Formula
    C6H13I
    Molecular Weight
    212.07  g/mol
    InChI Key
    ANOOTOPTCJRUPK-UHFFFAOYSA-N
    FDA UNII
    27F4BFU2DR
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-iodohexane
    2.1.2 InChI
    InChI=1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3
    2.1.3 InChI Key
    ANOOTOPTCJRUPK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCI
    2.2 Other Identifiers
    2.2.1 UNII
    27F4BFU2DR
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 638-45-9

    2. Hexyl Iodide

    3. N-hexyl Iodide

    4. Hexane, 1-iodo-

    5. 1-hexyl Iodide

    6. Iodohexane

    7. 1-iodo-hexane

    8. 1-iodo-n-hexane

    9. Hexane,1-iodo-

    10. 27f4bfu2dr

    11. Nsc-9251

    12. Mfcd00001102

    13. Nsc 9251

    14. Einecs 211-339-0

    15. 25495-92-5

    16. N-hexyliodide

    17. Iodo-hexane

    18. 6-iodohexane

    19. 1 -iodohexane

    20. 1-iodo Hexane

    21. Einecs 247-034-4

    22. 1-iodohepxane

    23. Unii-27f4bfu2dr

    24. Dsstox_cid_29298

    25. Dsstox_rid_83416

    26. Dsstox_gsid_49341

    27. N-c6h13i

    28. Schembl189651

    29. Chembl3188734

    30. Dtxsid2049341

    31. Anootoptcjrupk-uhfffaoysa-

    32. Nsc9251

    33. Zinc1699881

    34. Tox21_202862

    35. Bbl011465

    36. Stl146577

    37. Akos000119807

    38. Ncgc00260408-01

    39. 1-iodohexane, Purum, >=97.0% (gc)

    40. Cas-638-45-9

    41. Vs-02954

    42. 1-iodohexane Contains Copper As Stabilizer

    43. Cs-0132388

    44. Ft-0607963

    45. I0059

    46. F20355

    47. A834555

    48. J-802255

    49. 1-iodohexane, Contains Copper As Stabilizer, >=98%

    50. F8880-7919

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 212.07 g/mol
    Molecular Formula C6H13I
    XLogP34.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count4
    Exact Mass212.00620 g/mol
    Monoisotopic Mass212.00620 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity27.4
    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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