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    CAS 691-60-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1-isopropylurea, Propan-2-ylurea, Urea, (1-methylethyl)-, N-isopropylurea, Urea, isopropyl-, (1-methylethyl)urea
    Molecular Formula
    C4H10N2O
    Molecular Weight
    102.14  g/mol
    InChI Key
    LZMATGARSSLFMQ-UHFFFAOYSA-N
    FDA UNII
    3G2GT415DH
    Isopropylurea has been reported in Diptychocarpus strictus with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    propan-2-ylurea
    2.1.2 InChI
    InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)
    2.1.3 InChI Key
    LZMATGARSSLFMQ-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    3G2GT415DH
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1-isopropylurea

    2. Propan-2-ylurea

    3. Urea, (1-methylethyl)-

    4. N-isopropylurea

    5. Urea, Isopropyl-

    6. (1-methylethyl)urea

    7. N-(1-methylethyl)urea

    8. Urea, N-(1-methylethyl)-

    9. Einecs 211-722-2

    10. Nsc 14349

    11. Brn 1743048

    12. 3g2gt415dh

    13. Ai3-52666

    14. Nsc-14349

    15. Unii-3g2gt415dh

    16. Dtxsid8061002

    17. 4-04-00-00521 (beilstein Handbook Reference)

    18. Refchem:149868

    19. Dtxcid3046455

    20. 211-722-2

    21. 691-60-1

    22. Isopropyl-urea

    23. Urea,n-(1-methylethyl)-

    24. (propan-2-yl)urea

    25. Mfcd00047875

    26. N-propan-2-ylurea

    27. Isopropyl Urea

    28. Isopropylurea(mono)

    29. Nsc14349

    30. 1-(methylethyl)urea

    31. N-(propan-2-yl)urea

    32. Schembl24462

    33. Schembl24463

    34. Schembl1302184

    35. Schembl1360791

    36. Schembl2883995

    37. Schembl7195013

    38. Akos000116709

    39. Fi34844

    40. As-35333

    41. Sy042963

    42. Db-055233

    43. Cs-0162822

    44. Ns00036809

    45. En300-03863

    46. F101565

    47. Z56887677

    48. F8881-0428

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 102.14 g/mol
    Molecular Formula C4H10N2O
    XLogP3-0.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area55.1
    Heavy Atom Count7
    Formal Charge0
    Complexity70.1
    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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