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    Technical details about CAS 23687-25-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 23687-25-4

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: Isoquinolin-4-amine, 23687-25-4, 4-isoquinolinamine, 4-isoquinolylamine, Isoquinoline, 4-amino-, 4-amino isoquinoline
    Molecular Formula
    C9H8N2
    Molecular Weight
    144.17  g/mol
    InChI Key
    ISIUXVGHQFJYHM-UHFFFAOYSA-N
    FDA UNII
    EX5SYG47SP
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    isoquinolin-4-amine
    2.1.2 InChI
    InChI=1S/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H2
    2.1.3 InChI Key
    ISIUXVGHQFJYHM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C=NC=C2N
    2.2 Other Identifiers
    2.2.1 UNII
    EX5SYG47SP
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Isoquinolin-4-amine

    2. 23687-25-4

    3. 4-isoquinolinamine

    4. 4-isoquinolylamine

    5. Isoquinoline, 4-amino-

    6. 4-amino Isoquinoline

    7. Isoquinolin-4-ylamine

    8. Mfcd00034752

    9. Ex5syg47sp

    10. 4-amino-isoquinoline

    11. Nsc-170840

    12. Einecs 245-823-8

    13. Nsc170840

    14. Isoquinolin-4-yl-amine

    15. Unii-ex5syg47sp

    16. 4-aminoisoquinoline, 97%

    17. Schembl1325881

    18. Dtxsid20178351

    19. Albb-026672

    20. Ab1274

    21. Akos006345437

    22. Cs-w008059

    23. Hy-w008059

    24. Nsc 170840

    25. Ps-4545

    26. Ac-24179

    27. Sy020016

    28. Db-006655

    29. Am20070002

    30. Ns00050292

    31. En300-115319

    32. Ae-842/31875006

    33. W-206846

    34. Inchi=1/c9h8n2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6h,10h

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 144.17 g/mol
    Molecular Formula C9H8N2
    XLogP31.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area38.9
    Heavy Atom Count11
    Formal Charge0
    Complexity136
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1