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    CAS 294-90-6

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    CAS 294-90-6
    Also known as: Cyclen, 294-90-6, 1,4,7,10-tetrazacyclododecane, [12]anen4, Chebi:37391, 1,4,7,10tetraaza-cyclododecane
    Molecular Formula
    C8H20N4
    Molecular Weight
    172.27  g/mol
    InChI Key
    QBPPRVHXOZRESW-UHFFFAOYSA-N
    FDA UNII
    964584YO2O
    1 2D Structure

    CAS 294-90-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,4,7,10-tetrazacyclododecane
    2.1.2 InChI
    InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2
    2.1.3 InChI Key
    QBPPRVHXOZRESW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCNCCNCCN1
    2.2 Other Identifiers
    2.2.1 UNII
    964584YO2O
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cyclen

    2. Tetraaza-12-crown-4

    3. Tris Acetic Acid-1,4,7,10-tetraazacyclododecane

    2.3.2 Depositor-Supplied Synonyms

    1. Cyclen

    2. 294-90-6

    3. 1,4,7,10-tetrazacyclododecane

    4. [12]anen4

    5. Chebi:37391

    6. 1,4,7,10tetraaza-cyclododecane

    7. 5-26-11-00023 (beilstein Handbook Reference)

    8. Nsc629374

    9. 964584yo2o

    10. Nsc-629374

    11. Tetraaza-12-crown-4

    12. Mfcd00066281

    13. Nsc 629374

    14. Brn 0606114

    15. Unii-964584yo2o

    16. 1,4,7,10 Tetrazacyclododecane

    17. Cyclen, 97%

    18. Cyclen [mi]

    19. Ec 425-450-9

    20. Ec 608-365-3

    21. Schembl22003

    22. Mls000069489

    23. Chembl19880

    24. 1,4,7,1-tetraazacyclododecane

    25. 1,4,7,10 Tetraazacyclododecane

    26. Dtxsid60183621

    27. Bcpp000272

    28. 1,4,7,10-tetraaza Cyclododecane

    29. 1,4,7,10-tetraaza-cyclododecane

    30. Bcp01943

    31. Zinc5850273

    32. Akos015854526

    33. 1,4,7,10-tetracyclododecane

    34. Ac-8363

    35. Bcp9000563

    36. Ccg-266373

    37. Cs-w007656

    38. Gs-0907

    39. Hy-w007656

    40. Sc11813

    41. Ncgc00018128-01

    42. Ncgc00018128-02

    43. Ncgc00018128-03

    44. Bp-21078

    45. Bp-21532

    46. Nci60_009514

    47. Smr000059056

    48. Am20090388

    49. Ft-0631904

    50. S4927

    51. T1874

    52. 294t906

    53. A819936

    54. A1-01690

    55. J-503960

    56. J-802177

    57. Q63390538

    58. 1,4,7,10-tetraazacyclododecane;1,4,7,10-tetracyclododecane;1,4,7,10-tetrazacyclododecane;cyclen;kryptofix 11 Aza

    2.3.3 Other Synonyms

    1. Cyclen

    2. 1,4,7,10 Tetrazacyclododecane

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 172.27 g/mol
    Molecular Formula C8H20N4
    XLogP3-2.4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass172.16879665 g/mol
    Monoisotopic Mass172.16879665 g/mol
    Topological Polar Surface Area48.1 Ų
    Heavy Atom Count12
    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 Count1
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