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  • 1,4,7-Triazacyclononane

    • 1,4,7-Triazacyclononane

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    Catalog Number
    ACM4730545-1
    Product Name
    1,4,7-Triazacyclononane
    Structure
    CAS
    4730-54-5
    Category
    Macrocycles
    Synonyms
    1,4,7-Triazonane; 1H-1,4,7-Triazonine, octahydro-
    IUPAC Name
    1,4,7-triazonane
    Molecular Weight
    129.20
    Molecular Formula
    C6H15N3
    Canonical SMILES
    C1CNCCNCCN1
    InChI
    ITWBWJFEJCHKSN-UHFFFAOYSA-N
    InChI Key
    InChI=1S/C6H15N3/c1-2-8-5-6-9-4-3-7-1/h7-9H,1-6H2
    Boiling Point
    254.1 °C at 760 mmHg
    Melting Point
    42-45 °C -lit.
    Purity
    96%
    Appearance
    White to light yellow solid
    Storage
    2-8°C
    Complexity
    45.1
    Covalently-Bonded Unit Count
    1
    Exact Mass
    129.126597491
    Heavy Atom Count
    9
    Hydrogen Bond Acceptor Count
    3
    Hydrogen Bond Donor Count
    3
    Monoisotopic Mass
    129.126597491
    NSC Number
    681101
    Rotatable Bond Count
    0
    Topological Polar Surface Area
    36.1 Ų
    UNII
    2UIF93C5H3
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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