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    Technical details about CAS 23687-26-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 23687-26-5

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: Isoquinolin-6-amine, 23687-26-5, 6-isoquinolinamine, Isoquinolin-6-ylamine, 6-amino-isoquinoline, Chembl28687
    Molecular Formula
    C9H8N2
    Molecular Weight
    144.17  g/mol
    InChI Key
    NGFCTYXFMDWFRQ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    isoquinolin-6-amine
    2.1.2 InChI
    InChI=1S/C9H8N2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H,10H2
    2.1.3 InChI Key
    NGFCTYXFMDWFRQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=CN=C2)C=C1N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Isoquinolin-6-amine

    2. 23687-26-5

    3. 6-isoquinolinamine

    4. Isoquinolin-6-ylamine

    5. 6-amino-isoquinoline

    6. Chembl28687

    7. Mfcd04114862

    8. Isoquinoline, 6-amino-

    9. Schembl112842

    10. 6-aminoisoquinoline, Aldrichcpr

    11. Dtxsid70343315

    12. Act10648

    13. Bcp23492

    14. Zinc2527080

    15. Bdbm50126281

    16. Perphenazinesulfoxide(100mg)

    17. Akos006229814

    18. Ab19123

    19. Ac-5990

    20. Cs-w019654

    21. Ps-5598

    22. Sy021134

    23. Am20061843

    24. Ft-0647924

    25. A26442

    26. 687a265

    27. W-206847

    28. Z1741968324

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 144.17 g/mol
    Molecular Formula C9H8N2
    XLogP31.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass144.068748264 g/mol
    Monoisotopic Mass144.068748264 g/mol
    Topological Polar Surface Area38.9 Ų
    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