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  • 1,5,9-Triazacyclododecane

    • 1,5,9-Triazacyclododecane

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    Catalog Number
    ACM294804-1
    Product Name
    1,5,9-Triazacyclododecane
    Structure
    CAS
    294-80-4
    Category
    Macrocycles
    Synonyms
    4,8,12-Triazacyclododecan
    IUPAC Name
    1,5,9-triazacyclododecane
    Molecular Weight
    171.28
    Molecular Formula
    C9H21N3
    Canonical SMILES
    C1CNCCCNCCCNC1
    InChI
    VQFZKDXSJZVGDA-UHFFFAOYSA-N
    InChI Key
    InChI=1S/C9H21N3/c1-4-10-6-2-8-12-9-3-7-11-5-1/h10-12H,1-9H2
    Boiling Point
    77-78 °C at 3 mmHg-lit.
    Melting Point
    32-35 °C-lit.
    Complexity
    70.8
    Covalently-Bonded Unit Count
    1
    Exact Mass
    171.173547683
    Heavy Atom Count
    12
    Hydrogen Bond Acceptor Count
    3
    Hydrogen Bond Donor Count
    3
    Monoisotopic Mass
    171.173547683
    Rotatable Bond Count
    0
    Topological Polar Surface Area
    36.1 Ų
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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