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    CAS 10045-25-7

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    CAS 10045-25-7
    Also known as: 10045-25-7, Cyclen tetrahydrochloride, Tetraaza-12-crown-4 tetrahydrochloride, 1,4,7,10-tetraazacyclododecane, tetrahydrochloride, Cyclen tetrahydrochloride [mi], 1,4,7,10-tetraazacyclododecane, hydrochloride (1:4)
    Molecular Formula
    C8H24Cl4N4
    Molecular Weight
    318.1  g/mol
    InChI Key
    SBWLCGZEBQGYRP-UHFFFAOYSA-N
    FDA UNII
    51830Y7TIX
    1 2D Structure

    CAS 10045-25-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,4,7,10-tetrazacyclododecane;tetrahydrochloride
    2.1.2 InChI
    InChI=1S/C8H20N4.4ClH/c1-2-10-5-6-12-8-7-11-4-3-9-1;;;;/h9-12H,1-8H2;4*1H
    2.1.3 InChI Key
    SBWLCGZEBQGYRP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCNCCNCCN1.Cl.Cl.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    51830Y7TIX
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 10045-25-7

    2. Cyclen Tetrahydrochloride

    3. Tetraaza-12-crown-4 Tetrahydrochloride

    4. 1,4,7,10-tetraazacyclododecane, Tetrahydrochloride

    5. Cyclen Tetrahydrochloride [mi]

    6. 1,4,7,10-tetraazacyclododecane, Hydrochloride (1:4)

    7. 1,4,7,10-tetrazacyclododecane;tetrahydrochloride

    8. 1,4,7,10-tetraazacyclododecane Tetra, Hcl

    9. 51830y7tix

    10. Cyclen-4hcl

    11. 1,4,7,10-tetraazacyclododecane,hydrochloride

    12. Nsc-249332

    13. Unii-51830y7tix

    14. Cyclen Tetrahydrochloride, 98%

    15. Dtxsid70143291

    16. Bcp15868

    17. Mfcd00068484

    18. Akos015899824

    19. 1,4,7,10-tetraazacyclododecane 4hcl

    20. Nsc 249332

    21. Ac-26288

    22. As-18885

    23. Db-027328

    24. Am20070648

    25. Ft-0676155

    26. T1426

    27. F17698

    28. 1,4,7,10-tetraazacyclododecane Tetrahcl

    29. 045t257

    30. A847170

    31. J-503961

    32. Q27260886

    33. 1,4,7,10-tetraazacyclododecane Tetrahydrochloride, >=97.0% (n)

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 318.1 g/mol
    Molecular Formula C8H24Cl4N4
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass318.072557 g/mol
    Monoisotopic Mass316.075508 g/mol
    Topological Polar Surface Area48.1 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity65.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count5
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