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    Technical details about 1,1-Diethylurea, learn more about the structure, uses, toxicity, action, side effects and more

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    1,1-Diethylurea

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 634-95-7, N,n-diethylurea, Asym-diethylurea, Diethylurea, Urea, n,n-diethyl-, Urea, 1,1-diethyl-
    Molecular Formula
    C5H12N2O
    Molecular Weight
    116.16  g/mol
    InChI Key
    TUMNHQRORINJKE-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,1-diethylurea
    2.1.2 InChI
    InChI=1S/C5H12N2O/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)
    2.1.3 InChI Key
    TUMNHQRORINJKE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN(CC)C(=O)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Diethylurea

    2.2.2 Depositor-Supplied Synonyms

    1. 634-95-7

    2. N,n-diethylurea

    3. Asym-diethylurea

    4. Diethylurea

    5. Urea, N,n-diethyl-

    6. Urea, 1,1-diethyl-

    7. 50816-31-4

    8. Einecs 211-220-3

    9. Nsc 165657

    10. Brn 1747730

    11. Ai3-61341

    12. Urea,n-diethyl-

    13. Urea,1-diethyl-

    14. 1,1-diethyl Urea

    15. 1,1-diethylurea, 97%

    16. 1,1-diethylurea (asym-)

    17. Schembl24375

    18. Dtxsid3060900

    19. Schembl11769258

    20. Zinc409175

    21. Einecs 256-787-8

    22. Mfcd00007960

    23. Nsc165657

    24. Akos000141627

    25. Nsc-165657

    26. As-56661

    27. Db-054498

    28. Cs-0181847

    29. D1567

    30. Ft-0606115

    31. D89884

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 116.16 g/mol
    Molecular Formula C5H12N2O
    XLogP3-0.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass116.094963011 g/mol
    Monoisotopic Mass116.094963011 g/mol
    Topological Polar Surface Area46.3 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity78.5
    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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