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    European CDMO and Gx manufacturer with 75 years of experience in delivering premium APIs to pharmaceutical partners worldwide.

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    Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

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    Transo-Pharm GmbH works globally to supply Active Pharmaceutical Ingredients adhering to the highest quality & GMP standards.

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    TAPI, a leading global supplier of APIs, provides over 350 products and customized CDMO solutions for every stage of development.

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    AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

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    BUILDING BLOCK

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    Chemistry

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    Also known as: 5637-42-3, N-(4-cyanophenyl)guanidine, 2-(4-cyanophenyl)guanidine, 4-cyanophenyl guanidine, 4-cyanophenylguanidine, 4-guanidinobenzonitrile
    Molecular Formula
    C8H8N4
    Molecular Weight
    160.18  g/mol
    InChI Key
    BTDGLZSKNFJBER-UHFFFAOYSA-N
    CAS 5637-42-3
    1 2D Structure

    CAS 5637-42-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-cyanophenyl)guanidine
    2.1.2 InChI
    InChI=1S/C8H8N4/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4H,(H4,10,11,12)
    2.1.3 InChI Key
    BTDGLZSKNFJBER-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C#N)N=C(N)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5637-42-3

    2. N-(4-cyanophenyl)guanidine

    3. 2-(4-cyanophenyl)guanidine

    4. 4-cyanophenyl Guanidine

    5. 4-cyanophenylguanidine

    6. 4-guanidinobenzonitrile

    7. (4-cyanophenyl)guanidine

    8. Schembl247051

    9. N''-(4-cyanophenyl)guanidine

    10. Amy4029

    11. Dtxsid90589935

    12. Mfcd16251323

    13. Zinc44699409

    14. Akos016003144

    15. Cs-w010877

    16. Ac-25858

    17. As-19129

    18. Da-17016

    19. Ft-0665309

    20. J-523052

    2.3 Create Date
    2007-11-14
    3 Chemical and Physical Properties
    Molecular Weight 160.18 g/mol
    Molecular Formula C8H8N4
    XLogP30.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area88.2
    Heavy Atom Count12
    Formal Charge0
    Complexity213
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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