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    Technical details about CAS 99010-09-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 99010-09-0

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    2D Structure
    1. Also known as: 99010-09-0, 3-amino-4-(2-methylpropylamino)quinoline, 4-n-(2-methylpropyl)quinoline-3,4-diamine, 3,4-quinolinediamine, n4-(2-methylpropyl)-, 4-isobutylamino-3-aminoquinoline, Imiquimod related compound e
    Molecular Formula
    C13H17N3
    Molecular Weight
    215.29  g/mol
    InChI Key
    JFMKIQOIIMSWIM-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-N-(2-methylpropyl)quinoline-3,4-diamine
    2.1.2 InChI
    InChI=1S/C13H17N3/c1-9(2)7-16-13-10-5-3-4-6-12(10)15-8-11(13)14/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)
    2.1.3 InChI Key
    JFMKIQOIIMSWIM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CNC1=C(C=NC2=CC=CC=C21)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 99010-09-0

    2. 3-amino-4-(2-methylpropylamino)quinoline

    3. 4-n-(2-methylpropyl)quinoline-3,4-diamine

    4. 3,4-quinolinediamine, N4-(2-methylpropyl)-

    5. 4-isobutylamino-3-aminoquinoline

    6. Imiquimod Related Compound E

    7. N4-(2-methylpropyl)quinoline-3,4-diamine

    8. 3-amino-4-(2-methylpropylamino) Quinoline

    9. Schembl4725461

    10. Dtxsid90461621

    11. 3-amino-4-(isobutylamino)quinoline

    12. Act01948

    13. Zinc21989592

    14. Akos015841682

    15. Ac-5762

    16. 3-amino-4-(2-methylpropyl Amino)quinoline

    17. Db-049877

    18. 3-amino-4-(2-methylpropyl Amino) Quinoline

    19. Am20061657

    20. Cs-0240033

    21. Ft-0642384

    22. N4 -(2-methylpropyl)-3,4-quinolinediamine

    23. N4 -(2-methylpropyl)quinoline-3,4-diamine

    24. 3-amino-4-(2-methylpropylamino)quinoline Hcl

    25. 010a090

    26. A845943

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 215.29 g/mol
    Molecular Formula C13H17N3
    XLogP32.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass215.142247555 g/mol
    Monoisotopic Mass215.142247555 g/mol
    Topological Polar Surface Area50.9 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity217
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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