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    CAS 5409-58-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5409-58-5, (3-dimethylamino)-1''-propionapthone hydrochloride, 3-(dimethylamino)-1-naphthalen-1-ylpropan-1-one;hydrochloride, 3-(dimethylamino)-1-(1-naphthyl)-1-propanone hydrochloride, Mfcd00554996, 3-(dimethylamino)-1-(1-naphthalenyl)-1-propanone hydrochloride
    Molecular Formula
    C15H18ClNO
    Molecular Weight
    263.76  g/mol
    InChI Key
    GUTDWEKYWTXJGD-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(dimethylamino)-1-naphthalen-1-ylpropan-1-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C15H17NO.ClH/c1-16(2)11-10-15(17)14-9-5-7-12-6-3-4-8-13(12)14;/h3-9H,10-11H2,1-2H3;1H
    2.1.3 InChI Key
    GUTDWEKYWTXJGD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)CCC(=O)C1=CC=CC2=CC=CC=C21.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5409-58-5

    2. (3-dimethylamino)-1''-propionapthone Hydrochloride

    3. 3-(dimethylamino)-1-naphthalen-1-ylpropan-1-one;hydrochloride

    4. 3-(dimethylamino)-1-(1-naphthyl)-1-propanone Hydrochloride

    5. Mfcd00554996

    6. 3-(dimethylamino)-1-(1-naphthalenyl)-1-propanone Hydrochloride

    7. 3-dimethylamino-1-(naphthalen-1-yl)propan-1-one Hydrochloride

    8. 1-propanone, 3-(dimethylamino)-1-(1-naphthalenyl)-, Hydrochloride

    9. 3-(dimethylamino)-1-(naphthalen-1-yl)propan-1-one Hcl

    10. 1-propanone,3-(dimethylamino)-1-(1-naphthalenyl)-, Hydrochloride (1:1)

    11. 3-(dimethylamino)-1-naphthalen-1-ylpropan-1-one,hydrochloride

    12. Schembl297233

    13. Amy447

    14. Dtxsid30636457

    15. Bcp10258

    16. Cs-b0837

    17. Nsc12491

    18. Nsc 12491

    19. Nsc-12491

    20. Akos022182609

    21. Ac-28387

    22. As-19594

    23. Da-23676

    24. Sy027707

    25. Ft-0714136

    26. A852340

    27. 3-(dimethylamino)-1-(1-naphthyl)-1-propanone Hcl

    28. (3-dimethylamino)-1-propionapthone Hydrochloride

    29. 3-dimethylamino-1-naphthalen-1-ylpropan-1-one Hydrochloride

    30. 3-(dimethylamino)-1-(naphthalen-1-yl)propan-1-onehydrochloride

    31. 3-(dimethylamino)-1-(naphthalen-1-yl)propan-1-one--hydrogen Chloride (1/1)

    2.3 Create Date
    2008-02-29
    3 Chemical and Physical Properties
    Molecular Weight 263.76 g/mol
    Molecular Formula C15H18ClNO
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass263.1076919 g/mol
    Monoisotopic Mass263.1076919 g/mol
    Topological Polar Surface Area20.3 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity262
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2