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    BUILDING BLOCK

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    Chemistry

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    Also known as: 97664-55-6, 6-n-benzylamino-1-(4'-phenylbutoxy)hexane, N-[6-(4-phenylbutoxy)hexyl]-benzenemethanamine, Benzenemethanamine, n-[6-(4-phenylbutoxy)hexyl]-, Schembl456614, Dtxsid40448220
    Molecular Formula
    C23H33NO
    Molecular Weight
    339.5  g/mol
    InChI Key
    JWLIKZBRVQRFNF-UHFFFAOYSA-N
    CAS 97664-55-6
    1 2D Structure

    CAS 97664-55-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-benzyl-6-(4-phenylbutoxy)hexan-1-amine
    2.1.2 InChI
    InChI=1S/C23H33NO/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
    2.1.3 InChI Key
    JWLIKZBRVQRFNF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)CCCCOCCCCCCNCC2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 97664-55-6

    2. 6-n-benzylamino-1-(4'-phenylbutoxy)hexane

    3. N-[6-(4-phenylbutoxy)hexyl]-benzenemethanamine

    4. Benzenemethanamine, N-[6-(4-phenylbutoxy)hexyl]-

    5. Schembl456614

    6. Dtxsid40448220

    7. Zinc79047665

    8. [6-(4-phenylbutoxy)hexyl]benzylamine

    9. Akos016003681

    10. N-benzyl-6-(4-phenylbutoxy)hexylamine

    11. Sb83545

    12. 1,13-diphenyl-12-aza-5-oxatridecane

    13. 4-phenylbutyl 6-(benzylamino)hexyl Ether

    14. Ac-25488

    15. Bs-49596

    16. 6-n-benzylamino-1-(4-phenylbutoxy)hexane

    17. Ft-0750733

    18. 664d556

    19. A858613

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 339.5 g/mol
    Molecular Formula C23H33NO
    XLogP35.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count14
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area21.3
    Heavy Atom Count25
    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 Count1

    BUILDING BLOCK

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