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    CAS 51388-20-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 51388-20-6, 4-(benzyloxy)aniline hydrochloride, 4-benzyloxyaniline hcl, 4-benzyloxyaniline, hcl, 4-phenylmethoxyaniline;hydrochloride, Benzenamine, 4-(phenylmethoxy)-, hydrochloride
    Molecular Formula
    C13H14ClNO
    Molecular Weight
    235.71  g/mol
    InChI Key
    KQBDLOVXZHOAJI-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-phenylmethoxyaniline;hydrochloride
    2.1.2 InChI
    InChI=1S/C13H13NO.ClH/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;/h1-9H,10,14H2;1H
    2.1.3 InChI Key
    KQBDLOVXZHOAJI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)COC2=CC=C(C=C2)N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 51388-20-6

    2. 4-(benzyloxy)aniline Hydrochloride

    3. 4-benzyloxyaniline Hcl

    4. 4-benzyloxyaniline, Hcl

    5. 4-phenylmethoxyaniline;hydrochloride

    6. Benzenamine, 4-(phenylmethoxy)-, Hydrochloride

    7. Mfcd00012995

    8. 4-(phenylmethoxy)aniline Hydrochloride

    9. Einecs 257-170-6

    10. [4-(benzyloxy)phenyl]amine Hydrochloride

    11. Ai3-52569

    12. Schembl371743

    13. 4-benzyloxyanilinehydrochloride

    14. P-benzyloxyaniline Hydrochloride

    15. Dtxsid20199389

    16. P-(benzyloxy)aniline Hydrochloride

    17. Act00151

    18. 4-benzyloxy-phenylamine Hydrochloride

    19. 4-benzyloxyaniline Hydrochloride Salt

    20. Ac7908

    21. Akos005287354

    22. Cs-w014671

    23. Ps-7655

    24. 4-aminophenyl Benzyl Ether Hydrochloride

    25. 4-benzyloxyaniline Hydrochloric Acid Salt

    26. 4-(benzyloxy)aniline Hydrochloride, 98%

    27. 4-[(phenylmethyl)oxy]aniline Hydrochloride

    28. Db-071347

    29. Am20060650

    30. Ft-0617659

    31. Ft-0617660

    32. B-1400

    33. 388b206

    34. A828565

    35. Sr-01000597195

    36. Sr-01000597195-1

    37. F0850-6734

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 235.71 g/mol
    Molecular Formula C13H14ClNO
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass235.0763918 g/mol
    Monoisotopic Mass235.0763918 g/mol
    Topological Polar Surface Area35.2 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity169
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2