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    Chemistry

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    Also known as: 25394-33-6
    Molecular Formula
    C10H14ClN
    Molecular Weight
    183.68  g/mol
    InChI Key
    HZCQDJZPLJOGQS-UHFFFAOYSA-N
    CAS 25394-33-6
    1 2D Structure

    CAS 25394-33-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-chloro-N-methyl-1-phenylpropan-2-amine
    2.1.2 InChI
    InChI=1S/C10H14ClN/c1-8(12-2)10(11)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3
    2.1.3 InChI Key
    HZCQDJZPLJOGQS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C(C1=CC=CC=C1)Cl)NC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 25394-33-6

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 183.68 g/mol
    Molecular Formula C10H14ClN
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count3
    Exact Mass183.0814771 g/mol
    Monoisotopic Mass183.0814771 g/mol
    Topological Polar Surface Area12 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity121
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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