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    Chemistry

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    Also known as: 163923-18-0, N-benzyl-6-(4-phenylbutoxy)hexan-1-amine;hydrochloride, Starbld0023174, Schembl454214, 6-(4-phenylbutoxy)-n-benzylhexan-1-amine hcl, N-(benzyl-6-(4-phenylbutoxy)-hexane-1-amine hydrochloride
    Molecular Formula
    C23H34ClNO
    Molecular Weight
    376.0  g/mol
    InChI Key
    UIVMHLBJOQNSSR-UHFFFAOYSA-N
    CAS 163923-18-0
    1 2D Structure

    CAS 163923-18-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-benzyl-6-(4-phenylbutoxy)hexan-1-amine;hydrochloride
    2.1.2 InChI
    InChI=1S/C23H33NO.ClH/c1(10-18-24-21-23-16-7-4-8-17-23)2-11-19-25-20-12-9-15-22-13-5-3-6-14-22;/h3-8,13-14,16-17,24H,1-2,9-12,15,18-21H2;1H
    2.1.3 InChI Key
    UIVMHLBJOQNSSR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)CCCCOCCCCCCNCC2=CC=CC=C2.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 163923-18-0

    2. N-benzyl-6-(4-phenylbutoxy)hexan-1-amine;hydrochloride

    3. Starbld0023174

    4. Schembl454214

    5. 6-(4-phenylbutoxy)-n-benzylhexan-1-amine Hcl

    6. N-(benzyl-6-(4-phenylbutoxy)-hexane-1-amine Hydrochloride

    2.3 Create Date
    2007-07-23
    3 Chemical and Physical Properties
    Molecular Weight 376.0 g/mol
    Molecular Formula C23H34ClNO
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count14
    Exact Mass375.2328924 g/mol
    Monoisotopic Mass375.2328924 g/mol
    Topological Polar Surface Area21.3 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity282
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    BUILDING BLOCK

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