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    CAS 26391-06-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 26391-06-0, N,n-diethylcyanoacetamide, N,n-diethyl-2-cyanoacetamide, Acetamide, 2-cyano-n,n-diethyl-, N,n-diethylaminocyanoacetamide, 2-cyano-n,n-diethyl-acetamide
    Molecular Formula
    C7H12N2O
    Molecular Weight
    140.18  g/mol
    InChI Key
    RYSHIRFTLKZVIH-UHFFFAOYSA-N
    FDA UNII
    K7FKS72PYE
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-cyano-N,N-diethylacetamide
    2.1.2 InChI
    InChI=1S/C7H12N2O/c1-3-9(4-2)7(10)5-6-8/h3-5H2,1-2H3
    2.1.3 InChI Key
    RYSHIRFTLKZVIH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN(CC)C(=O)CC#N
    2.2 Other Identifiers
    2.2.1 UNII
    K7FKS72PYE
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 26391-06-0

    2. N,n-diethylcyanoacetamide

    3. N,n-diethyl-2-cyanoacetamide

    4. Acetamide, 2-cyano-n,n-diethyl-

    5. N,n-diethylaminocyanoacetamide

    6. 2-cyano-n,n-diethyl-acetamide

    7. K7fks72pye

    8. N,n-diethyl-cyanoacetamide

    9. Mfcd01332383

    10. Unii-k7fks72pye

    11. N,n-diethyl Cyanoacetamide

    12. Ec 607-929-6

    13. N,n-diethyl Cyano Acetamide

    14. 2-cyanoacetic Acid Diethylamide

    15. N,n Diethyl-2-cyano Acetamide

    16. Schembl1405183

    17. 2-cyano-n,n-diethyl-ethanamide

    18. Chebi:48386

    19. N1,n1-diethyl-2-cyanoacetamide

    20. Amy3916

    21. Dtxsid70397378

    22. Hms1747e15

    23. Albb-004136

    24. Bcp29944

    25. Zinc3887263

    26. Stk502146

    27. Akos000270706

    28. N,n-diethyl-2-cyanoacetoamide, 97%

    29. Ac-1753

    30. Ds-12505

    31. Sy008120

    32. Db-013095

    33. Bb 0240856

    34. Cs-0112885

    35. Ft-0612166

    36. Ft-0655253

    37. En300-08341

    38. F11682

    39. A818419

    40. J-509222

    41. Q27121177

    2.4 Create Date
    2005-09-11
    3 Chemical and Physical Properties
    Molecular Weight 140.18 g/mol
    Molecular Formula C7H12N2O
    XLogP30.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass140.094963011 g/mol
    Monoisotopic Mass140.094963011 g/mol
    Topological Polar Surface Area44.1 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity152
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1