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  • 3,5-diaminobenzoic acid (DABA)

    • 3,5-diaminobenzoic acid (DABA)

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    Catalog Number
    ACM535875
    Product Name
    3,5-diaminobenzoic acid (DABA)
    Structure
    CAS
    535-87-5
    Category
    Organic Light-Emitting Diode (OLED) Materials
    Description
    WHITE CRYSTALS.
    IUPAC Name
    3,5-diaminobenzoic acid
    Molecular Weight
    152.15g/mol
    Molecular Formula
    C16H16N2O2;(C6H4NHCOCH3)2;C7H8N2O2
    Canonical SMILES
    C1=C(C=C(C=C1N)N)C(=O)O
    InChI
    InChI=1S/C7H8N2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,8-9H2,(H,10,11)
    InChI Key
    UENRXLSRMCSUSN-UHFFFAOYSA-N
    Melting Point
    228.0 °C;327-330 °C
    Solubility
    Solubility in water: none
    Complexity
    151
    Covalently-Bonded Unit Count
    1
    EC Number
    208-621-0
    Exact Mass
    152.058578g/mol
    Formal Charge
    0
    Heavy Atom Count
    11
    ICSC Number
    1678
    Log P
    1.97
    MeSH Entry Terms
    3,5-diaminobenzoic acid;3,5-diaminobenzoic acid, dihydrochloride;3,5-diaminobenzoic acid, monosodium salt
    Monoisotopic Mass
    152.058578g/mol
    Rotatable Bond Count
    1
    UNII
    1609U1093N
    XLogP3
    0.2
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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