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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 1698293-93-4, 4-methyl-2-propan-2-ylpyridin-3-amine, Mfcd30828926, 3-amino-2-isopropyl-4-methylpyridine, Schembl19590668, Tqp0005
    Molecular Formula
    C9H14N2
    Molecular Weight
    150.22  g/mol
    InChI Key
    VXPOAPWLMVAUCK-UHFFFAOYSA-N
    CAS 1698293-93-4
    1 2D Structure

    CAS 1698293-93-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-methyl-2-propan-2-ylpyridin-3-amine
    2.1.2 InChI
    InChI=1S/C9H14N2/c1-6(2)9-8(10)7(3)4-5-11-9/h4-6H,10H2,1-3H3
    2.1.3 InChI Key
    VXPOAPWLMVAUCK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=NC=C1)C(C)C)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1698293-93-4

    2. 4-methyl-2-propan-2-ylpyridin-3-amine

    3. Mfcd30828926

    4. 3-amino-2-isopropyl-4-methylpyridine

    5. Schembl19590668

    6. Tqp0005

    7. Amy16929

    8. Bcp31351

    9. 2-isopropyl-4-methyl-pyridin-3-amine

    10. Akos037645687

    11. Zinc232746054

    12. Cs-w018348

    13. Pb48292

    14. As-62265

    15. Sy251570

    16. 4-methyl-2-(propan-2-yl)pyridin-3-amine

    17. Ft-0700850

    18. A901831

    2.3 Create Date
    2016-01-15
    3 Chemical and Physical Properties
    Molecular Weight 150.22 g/mol
    Molecular Formula C9H14N2
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass150.115698455 g/mol
    Monoisotopic Mass150.115698455 g/mol
    Topological Polar Surface Area38.9 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity123
    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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