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  • [Synonyms]
    LS-95769
    1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-N,N-dimethyl-5-ethoxy-, hydrochloride
    1-Naphthylamine, 8-chloro-N,N-dimethyl-5-ethoxy-1,2,3,4-tetrahydro-, hydrochloride
    1-NAPHTHYLAMINE, 1,2,3,4-TETRAHYDRO-8-CHLORO-N,N-DIMETHYL-5-ETHOXY-, HYDROCHLORI
    63979-07-7

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight290.22864 [g/mol]
    Molecular FormulaC14H21Cl2NO
    H-Bond Donor1
    H-Bond Acceptor2
    Rotatable Bond Count3
    Exact Mass289.10002
    MonoIsotopic Mass289.10002
    Topological Polar Surface Area13.7
    Heavy Atom Count18
    Formal Charge0
    Complexity246
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count2

    [ Descriptors Computed from Structure]
    IUPAC Name: (8-chloro-5-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-dimethylazanium
    chloride
    Canonical SMILES: CCOC1=C2CCCC(C2=C(C=C1)Cl)[NH+](C)C.[Cl-]
    InChI: InChI=1/C14H20ClNO.ClH/c1-4-17-13-9-8-11(15)14-10(13)6-5-7-12(14)16(2)3;
    /h8-9,12H,4-7H2,1-3H3;1H/fC14H21ClNO.Cl/h16H;1h/q+1;-1



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