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  • N-(2,4-Dinitrophenyl)-L-alanine methyl ester

  • N-(2,4-Dinitrophenyl)-L-alanine methyl ester

    Catalog Number
    ACM10420630
    CAS Number
    10420-63-0
    Product Name
    N-(2,4-Dinitrophenyl)-L-alanine methyl ester
    Structure
    Category
    Organic Non-Linear Optical (NLO) Materials; Monomers
    IUPAC Name
    methyl (2S)-2-(2,4-dinitroanilino)propanoate
    Molecular Weight
    269.21g/mol
    Molecular Formula
    C10H11N3O6
    Canonical SMILES
    CC(C(=O)OC)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
    InChI
    InChI=1S/C10H11N3O6/c1-6(10(14)19-2)11-8-4-3-7(12(15)16)5-9(8)13(17)18/h3-6,11H,1-2H3/t6-/m0/s1
    InChI Key
    RXDDNUKGTCKLDT-LURJTMIESA-N
    Purity
    >98.0%(LC)
    Complexity
    363
    Covalently-Bonded Unit Count
    1
    Exact Mass
    269.064785g/mol
    Formal Charge
    0
    Heavy Atom Count
    19
    Monoisotopic Mass
    269.064785g/mol
    Rotatable Bond Count
    4
    XLogP3
    2.5
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