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    Chemistry

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    Also known as: 1137606-74-6, 6-fluoro-3-oxo-3,4-dihydropyrazine-2-carbonitrile compound with dicyclohexylamine (1:1), As-79959, Cs-0115543, E81432
    Molecular Formula
    C17H25FN4O
    Molecular Weight
    320.4  g/mol
    InChI Key
    CUEAMQKUSNCUDI-UHFFFAOYSA-N
    CAS 1137606-74-6
    1 2D Structure

    CAS 1137606-74-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-cyclohexylcyclohexanamine;5-fluoro-2-oxo-1H-pyrazine-3-carbonitrile
    2.1.2 InChI
    InChI=1S/C12H23N.C5H2FN3O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;6-4-2-8-5(10)3(1-7)9-4/h11-13H,1-10H2;2H,(H,8,10)
    2.1.3 InChI Key
    CUEAMQKUSNCUDI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC(CC1)NC2CCCCC2.C1=C(N=C(C(=O)N1)C#N)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1137606-74-6

    2. 6-fluoro-3-oxo-3,4-dihydropyrazine-2-carbonitrile Compound With Dicyclohexylamine (1:1)

    3. As-79959

    4. Cs-0115543

    5. E81432

    2.3 Create Date
    2009-04-20
    3 Chemical and Physical Properties
    Molecular Weight 320.4 g/mol
    Molecular Formula C17H25FN4O
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass320.20123960 g/mol
    Monoisotopic Mass320.20123960 g/mol
    Topological Polar Surface Area77.3 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity399
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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