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  • 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane

  • 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane

    Catalog Number
    ACM18084645-1
    Product Name
    1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane
    Structure
    CAS
    18084-64-5
    Category
    Supramolecular Host Materials
    Synonyms
    1,4,7,10-tetrabenzylcyclen
    IUPAC Name
    1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
    Molecular Weight
    532.76
    Molecular Formula
    C36H44N4
    Canonical SMILES
    C1CN(CCN(CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5
    InChI
    VXOJKUWHCFFUCO-UHFFFAOYSA-N
    InChI Key
    InChI=1S/C36H44N4/c1-5-13-33(14-6-1)29-37-21-23-38(30-34-15-7-2-8-16-34)25-27-40(32-36-19-11-4-12-20-36)28-26-39(24-22-37)31-35-17-9-3-10-18-35/h1-20H,21-32H2
    Boiling Point
    639.2±50.0 °C(Predicted)
    Melting Point
    140-142 ºC
    Purity
    97%
    Complexity
    517
    Covalently-Bonded Unit Count
    1
    EC Number
    449-410-5
    Exact Mass
    532.35659742
    Heavy Atom Count
    40
    Hydrogen Bond Acceptor Count
    4
    Hydrogen Bond Donor Count
    0
    Monoisotopic Mass
    532.35659742
    Rotatable Bond Count
    8
    Topological Polar Surface Area
    13 Ų
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