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    96-31-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1,3-dimethylurea, 96-31-1, Sym-dimethylurea, Urea, n,n'-dimethyl-, Symmetric dimethylurea, Urea, 1,3-dimethyl-
    Molecular Formula
    C3H8N2O
    Molecular Weight
    88.11  g/mol
    InChI Key
    MGJKQDOBUOMPEZ-UHFFFAOYSA-N
    FDA UNII
    WAM6DR9I4X
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,3-dimethylurea
    2.1.2 InChI
    InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
    2.1.3 InChI Key
    MGJKQDOBUOMPEZ-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    WAM6DR9I4X
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,3-dimethylurea

    2.3.2 Depositor-Supplied Synonyms

    1. 1,3-dimethylurea

    2. 96-31-1

    3. Sym-dimethylurea

    4. Urea, N,n'-dimethyl-

    5. Symmetric Dimethylurea

    6. Urea, 1,3-dimethyl-

    7. N,n'-dimethylharnstoff

    8. Wam6dr9i4x

    9. Dtxsid5025156

    10. Nsc-14910

    11. Dtxcid605156

    12. Chebi:80472

    13. Refchem:72748

    14. 202-498-7

    15. Dimethylurea

    16. 1,3-dimethyl Urea

    17. Mfcd00008286

    18. Dimethyl Urea

    19. N,n'-dimethylharnstoff [german]

    20. Nsc 14910

    21. Brn 1740672

    22. Ai3-24386

    23. Dmu

    24. Urea,3-dimethyl-

    25. Urea,n'-dimethyl-

    26. 1,3-dimethylurea, 98%

    27. Wln: 1mvm1

    28. Ccris 2509

    29. Hsdb 3423

    30. Einecs 202-498-7

    31. Unii-wam6dr9i4x

    32. Dimethylharnstoff

    33. 1.3-dimethylurea

    34. N,n-dimethyl-urea

    35. 1,3 Dimethyl Urea

    36. N,n'-dimethyl Urea

    37. N,n\'-dimethylurea

    38. 1,1'-dimethylurea

    39. 1,3-dimethylcarbamide

    40. 3k3g

    41. Bmse000248

    42. Ec 202-498-7

    43. Urea,1,3-dimethyl

    44. (ch3nh)2co

    45. Schembl10042

    46. Schembl42058

    47. N,n'-dimethylurea, ~98%

    48. Schembl303777

    49. Schembl4993824

    50. Chembl1234380

    51. Schembl10838088

    52. Schembl10838094

    53. Schembl15157912

    54. 1,3-dimethylurea [hsdb]

    55. Nsc14910

    56. Nsc24823

    57. Tox21_200794

    58. Bbl011513

    59. Nsc-24823

    60. Stl146629

    61. Akos000120912

    62. Cs-w013749

    63. Pb47928

    64. Cas-96-31-1

    65. Ncgc00248834-01

    66. Ncgc00258348-01

    67. Sy004507

    68. Db-225923

    69. N,n Inverted Exclamation Marka-dimethylurea

    70. D0289

    71. Ns00005754

    72. En300-20740

    73. P17517

    74. F358273

    75. N,n'-dimethylurea, (sym.), >=99% (from N)

    76. Q419740

    77. N,n'-dimethylurea, Pestanal(r), Analytical Standard

    78. F0001-2292

    79. N,n'-dimethylurea, (sym.), >=95.0% (hplc), Technical

    80. Inchi=1/c3h8n2o/c1-4-3(6)5-2/h1-2h3,(h2,4,5,6

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 88.11 g/mol
    Molecular Formula C3H8N2O
    XLogP3-0.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area41.1
    Heavy Atom Count6
    Formal Charge0
    Complexity46.8
    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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