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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
    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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