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    Technical details about CAS-17526-94-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS-17526-94-2

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    2D Structure
    1. Also known as: 17526-94-2, 3,3'-(4-methylbenzene-1,3-diyl)bis(1,1-dimethylurea), 3-[3-(dimethylcarbamoylamino)-4-methylphenyl]-1,1-dimethylurea, 22x7s855o6, Nsc-375994, 3,3'-(4-methyl-1,3-phenylene) bis (1,1-dimethylurea)
    Molecular Formula
    C13H20N4O2
    Molecular Weight
    264.32  g/mol
    InChI Key
    KDQTUCKOAOGTLT-UHFFFAOYSA-N
    FDA UNII
    22X7S855O6
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[3-(dimethylcarbamoylamino)-4-methylphenyl]-1,1-dimethylurea
    2.1.2 InChI
    InChI=1S/C13H20N4O2/c1-9-6-7-10(14-12(18)16(2)3)8-11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19)
    2.1.3 InChI Key
    KDQTUCKOAOGTLT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1)NC(=O)N(C)C)NC(=O)N(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    22X7S855O6
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 17526-94-2

    2. 3,3'-(4-methylbenzene-1,3-diyl)bis(1,1-dimethylurea)

    3. 3-[3-(dimethylcarbamoylamino)-4-methylphenyl]-1,1-dimethylurea

    4. 22x7s855o6

    5. Nsc-375994

    6. 3,3'-(4-methyl-1,3-phenylene) Bis (1,1-dimethylurea)

    7. Urea, N,n''-(4-methyl-1,3-phenylene)bis(n',n'-dimethyl-

    8. N,n''-(4-methyl-1,3-phenylene)bis(n',n'-dimethylurea)

    9. 3,3'-(4-methyl-1,3-phenylene) Bis(1,1-dimethylurea)

    10. 3,3/'-(4-methyl-1,3-phenylene) Bis (1,1-dimethylurea)

    11. N,n''-(4-methyl-1,3-phenylene)bis[n',n'-dimethylurea]

    12. Unii-22x7s855o6

    13. Einecs 241-523-6

    14. 2,4-bis(3,3-dimethylureido)toluene

    15. Nsc375994

    16. Nsc 375994

    17. Ec 241-523-6

    18. Dsstox_cid_24606

    19. Dsstox_rid_80346

    20. Dsstox_gsid_44606

    21. Schembl138240

    22. Chembl3186043

    23. Dtxsid0044606

    24. Urea,n,n''-(4-methyl-1,3-phenylene)bis[n',n'-dimethyl-

    25. Zinc395074

    26. Amy28670

    27. Tox21_302673

    28. U 410m

    29. Akos015961000

    30. Ncgc00256865-01

    31. Ac-12734

    32. As-75554

    33. Cas-17526-94-2

    34. Cs-0448453

    35. Ft-0726230

    36. 2,4-tolylenebis(n',n'-dimethylurea)

    37. 2,4-bis(dimethylaminocarbonylamino)toluene

    38. N,n'-bis(dimethylcarbamoyl)-2,4-toluidine

    39. 1,1'-(4-methyl-m-phenylene)bis(3,3-dimethylurea)

    40. 1,-(4-methyl-1,3-phenylene)bis(3,3-dimethylurea)

    41. Q27253683

    42. N,n''-(4-methyl-m-phenylene)bis(n',n'-dimethylurea)

    43. 1,1'-(4-methyl-m-phenylene)bis(3,3'-dimethylurea)

    44. N,n-(4-methyl-1,3-phenylene) Bis(n',n'-dimethylurea)

    45. Urea, 1,1'-(4-methyl-m-phenylene)bis(3,3-dimethyl-

    46. 3-(5-(dimethylcarbamoylamino)-2-methylphenyl)-1,1-dimethyl Urea

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 264.32 g/mol
    Molecular Formula C13H20N4O2
    XLogP31
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass264.15862589 g/mol
    Monoisotopic Mass264.15862589 g/mol
    Topological Polar Surface Area64.7 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity331
    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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