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  • N,N'-Dibenzyl-4,13-diaza-18-crown 6-Ether

    Catalog Number
    ACM69703259-1
    CAS Number
    69703-25-9
    Product Name
    N,N'-Dibenzyl-4,13-diaza-18-crown 6-Ether
    Structure
    Category
    Macrocycles; Supramolecular Host Materials
    IUPAC Name
    7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
    Molecular Weight
    442.6g/mol
    Molecular Formula
    C26H38N2O4
    Canonical SMILES
    C1COCCOCCN(CCOCCOCCN1CC2=CC=CC=C2)CC3=CC=CC=C3
    InChI
    InChI=1S/C26H38N2O4/c1-3-7-25(8-4-1)23-27-11-15-29-19-21-31-17-13-28(24-26-9-5-2-6-10-26)14-18-32-22-20-30-16-12-27/h1-10H,11-24H2
    InChI Key
    WAHZGOBRKWVALN-UHFFFAOYSA-N
    Application
    N,N'-Dibenzyl-4,13-diaza-18-crown 6-Ether serves as a versatile macrocycle with several important applications. It is utilized in enhancing the functionality of electrodes for measuring riboflavin or vitamin B2 levels in food and pharmaceutical products. Additionally, it acts as an ionophore in the creation of poly(vinyl chloride) membrane-based sensors for detecting Zn2+ ions, which are essential for assessing zinc content in water and pharmaceuticals. Furthermore, this compound aids in the development of modified graphite electrodes for the detection of samarium in ores and industrial effluents, showcasing its adaptability in various analytical processes.
    Complexity
    382
    Covalently-Bonded Unit Count
    1
    Exact Mass
    442.283158g/mol
    Formal Charge
    0
    Heavy Atom Count
    32
    MeSH Entry Terms
    DBTODAOD;DD18C6 cpd;N,N'-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
    Monoisotopic Mass
    442.283158g/mol
    Rotatable Bond Count
    4
    XLogP3
    2.7
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