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  • Tetraethyl 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetate

    • Tetraethyl 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetate

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    Catalog Number
    ACM126320578-2
    Product Name
    Tetraethyl 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetate
    Structure
    CAS
    126320-57-8
    Category
    Macrocycles
    Synonyms
    1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetic acid, 1,4,8,11-tetraethyl ester
    IUPAC Name
    ethyl 2-[4,8,11-tris(2-ethoxy-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
    Molecular Weight
    544.68
    Molecular Formula
    C26H48N4O8
    Canonical SMILES
    CCOC(=O)CN1CCCN(CCN(CCCN(CC1)CC(=O)OCC)CC(=O)OCC)CC(=O)OCC
    InChI
    HGPDBLIYOCNCEH-UHFFFAOYSA-N
    InChI Key
    InChI=1S/C26H48N4O8/c1-5-35-23(31)19-27-11-9-12-29(21-25(33)37-7-3)17-18-30(22-26(34)38-8-4)14-10-13-28(16-15-27)20-24(32)36-6-2/h5-22H2,1-4H3
    Melting Point
    87-89 °C
    Purity
    98%
    Appearance
    White to yellow powder
    Complexity
    595
    Covalently-Bonded Unit Count
    1
    Exact Mass
    544.34721450
    Heavy Atom Count
    38
    Hydrogen Bond Acceptor Count
    12
    Hydrogen Bond Donor Count
    0
    Monoisotopic Mass
    544.34721450
    Rotatable Bond Count
    16
    Topological Polar Surface Area
    118 Ų
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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