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    Chemistry

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    Also known as: 131826-11-4, 3-(2-methylpropyl)aniline, Benzenamine, 3-(2-methylpropyl)-, Mfcd11934360, 3-isobutylphenylamine, Schembl153431
    Molecular Formula
    C10H15N
    Molecular Weight
    149.23  g/mol
    InChI Key
    JSOMPMRZESLPSM-UHFFFAOYSA-N
    CAS 131826-11-4
    1 2D Structure

    CAS 131826-11-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(2-methylpropyl)aniline
    2.1.2 InChI
    InChI=1S/C10H15N/c1-8(2)6-9-4-3-5-10(11)7-9/h3-5,7-8H,6,11H2,1-2H3
    2.1.3 InChI Key
    JSOMPMRZESLPSM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CC1=CC(=CC=C1)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 131826-11-4

    2. 3-(2-methylpropyl)aniline

    3. Benzenamine, 3-(2-methylpropyl)-

    4. Mfcd11934360

    5. 3-isobutylphenylamine

    6. Schembl153431

    7. Dtxsid50597495

    8. Akos013203004

    9. Db-339405

    10. Cs-0329032

    11. O11024

    2.3 Create Date
    2007-12-04
    3 Chemical and Physical Properties
    Molecular Weight 149.23 g/mol
    Molecular Formula C10H15N
    XLogP32.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area26
    Heavy Atom Count11
    Formal Charge0
    Complexity109
    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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