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    CAS 163837-57-8

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    CAS 163837-57-8
    Also known as: 163837-57-8, (r)-(4-chlorophenyl)-phenylmethanamine, Benzenemethanamine, 4-chloro-alpha-phenyl-, (alphar)-, Impurity gl-1, Schembl588409, R666ah9n3z
    Molecular Formula
    C13H12ClN
    Molecular Weight
    217.69  g/mol
    InChI Key
    XAFODXGEQUOEKN-CYBMUJFWSA-N
    FDA UNII
    R666AH9N3Z
    1 2D Structure

    CAS 163837-57-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (R)-(4-chlorophenyl)-phenylmethanamine
    2.1.2 InChI
    InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2/t13-/m1/s1
    2.1.3 InChI Key
    XAFODXGEQUOEKN-CYBMUJFWSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)N
    2.2 Other Identifiers
    2.2.1 UNII
    R666AH9N3Z
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 163837-57-8

    2. (r)-(4-chlorophenyl)-phenylmethanamine

    3. Benzenemethanamine, 4-chloro-alpha-phenyl-, (alphar)-

    4. Impurity Gl-1

    5. Schembl588409

    6. R666ah9n3z

    7. [(r)-4-chlorobenzhydryl]amine

    8. Zinc155170

    9. Mfcd12068384

    10. (r)-(4-chlorophenyl)phenylmethanamine

    11. Akos015888722

    12. (-)-alpha-(4-chlorophenyl)benzylamine

    13. Bs-50951

    14. (r)-(4-chloro-phenyl)-phenyl-methylamine

    15. Y12435

    16. (-)-((4-chlorophenyl)phenylmethyl)amine

    17. Benzenemethanamine, 4-chloro-.alpha.-phenyl-, (.alpha.r)-

    2.4 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 217.69 g/mol
    Molecular Formula C13H12ClN
    XLogP33.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass217.0658271 g/mol
    Monoisotopic Mass217.0658271 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity181
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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