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    Technical details about CAS 82572-04-1, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 82572-04-1

    BUILDING BLOCK

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    2D Structure
    Also known as: 82572-04-1, (1r)-1-naphthalen-1-ylethanamine;hydrochloride, (r)-(+)-1-(1-naphthyl)ethylamine hydrochloride, (r)-1-(naphthalen-1-yl)ethanamine hcl, (r)-1-(1-naphthyl)ethylamine hydrochloride, (1r)-1-(1-naphthyl)ethylamine hydrochloride
    Molecular Formula
    C12H14ClN
    Molecular Weight
    207.70  g/mol
    InChI Key
    ZTNKTVBJMXQOBQ-SBSPUUFOSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R)-1-naphthalen-1-ylethanamine;hydrochloride
    2.1.2 InChI
    InChI=1S/C12H13N.ClH/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;/h2-9H,13H2,1H3;1H/t9-;/m1./s1
    2.1.3 InChI Key
    ZTNKTVBJMXQOBQ-SBSPUUFOSA-N
    2.1.4 Canonical SMILES
    CC(C1=CC=CC2=CC=CC=C21)N.Cl
    2.1.5 Isomeric SMILES
    C[C@H](C1=CC=CC2=CC=CC=C21)N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 82572-04-1

    2. (1r)-1-naphthalen-1-ylethanamine;hydrochloride

    3. (r)-(+)-1-(1-naphthyl)ethylamine Hydrochloride

    4. (r)-1-(naphthalen-1-yl)ethanamine Hcl

    5. (r)-1-(1-naphthyl)ethylamine Hydrochloride

    6. (1r)-1-(1-naphthyl)ethylamine Hydrochloride

    7. (r)-1-(naphthalen-1-yl)ethanamine (hydrochloride)

    8. Schembl7597590

    9. Dtxsid30487446

    10. Amy37485

    11. Cs-m1367

    12. (r)-1-(1-naphthyl)ethylamine Hcl

    13. Mfcd07369798

    14. Akos016001488

    15. (r)-(+)-1,1-naphthyl Ethylamine Hci

    16. Cs-13883

    17. (r)-(+)-1-(1-naphthyl) Ethylamine, Hcl

    18. (1r)-1-naphthalen-1-ylethanamine Hydrochloride

    19. N12093

    20. (r)-1-(naphthalen-1-yl)ethanaminehydrochloride

    21. A864383

    22. W-203875

    23. (1r)-1-(naphthalen-1-yl)ethan-1-amine Hydrochloride

    24. (r)-(+)-1-(1-naphthyl)ethylamine Hydrochloride, 97%

    2.3 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 207.70 g/mol
    Molecular Formula C12H14ClN
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass207.0814771 g/mol
    Monoisotopic Mass207.0814771 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity167
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2