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    Technical details about CAS 1197953-47-1, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 1197953-47-1

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 1197953-47-1, 2-(dimethylphosphoryl)aniline, 2-dimethylphosphorylaniline, 2-(dimethylphosphinyl)aniline, (2-aminophenyl)dimethylphosphineoxide, Benzenamine, 2-(dimethylphosphinyl)-
    Molecular Formula
    C8H12NOP
    Molecular Weight
    169.16  g/mol
    InChI Key
    DHHGHQKIKXKQGJ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-dimethylphosphorylaniline
    2.1.2 InChI
    InChI=1S/C8H12NOP/c1-11(2,10)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3
    2.1.3 InChI Key
    DHHGHQKIKXKQGJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CP(=O)(C)C1=CC=CC=C1N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1197953-47-1

    2. 2-(dimethylphosphoryl)aniline

    3. 2-dimethylphosphorylaniline

    4. 2-(dimethylphosphinyl)aniline

    5. (2-aminophenyl)dimethylphosphineoxide

    6. Benzenamine, 2-(dimethylphosphinyl)-

    7. Mfcd23135529

    8. Ambz0456

    9. Schembl1491871

    10. Dtxsid10736323

    11. Bcp15257

    12. Xxb95347

    13. Zinc85221472

    14. Akos016005296

    15. Am90250

    16. Cs-w005746

    17. Ds-2507

    18. Pb39841

    19. (2-aminophenyl)dimethyl Phosphine Oxide

    20. 2-(dimethylphosphoryl)benzenamine

    21. Sy033213

    22. Db-115520

    23. Ft-0697403

    24. A892422

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 169.16 g/mol
    Molecular Formula C8H12NOP
    XLogP30.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass169.065651004 g/mol
    Monoisotopic Mass169.065651004 g/mol
    Topological Polar Surface Area43.1 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity175
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1