Cas no 58910-37-5 (Piperazine, 1-(2,4-dinitrophenyl)-4-methyl-)

Piperazine, 1-(2,4-dinitrophenyl)-4-methyl-, is a chemically synthesized derivative of piperazine featuring a 2,4-dinitrophenyl substituent and a methyl group at the 4-position. This compound is primarily utilized in organic synthesis and pharmaceutical research due to its structural versatility and reactivity. The presence of the electron-withdrawing dinitrophenyl group enhances its utility in nucleophilic substitution reactions, while the methyl group contributes to steric and electronic modulation. Its well-defined molecular structure makes it a valuable intermediate for developing bioactive compounds, particularly in medicinal chemistry applications. The compound is typically characterized by high purity and stability, ensuring consistent performance in research and industrial settings.
Piperazine, 1-(2,4-dinitrophenyl)-4-methyl- structure
58910-37-5 structure
Product Name:Piperazine, 1-(2,4-dinitrophenyl)-4-methyl-
CAS No:58910-37-5
MF:C11H14N4O4
MW:266.253262042999
CID:340455
PubChem ID:3110646
Update Time:2025-06-06

Piperazine, 1-(2,4-dinitrophenyl)-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Piperazine, 1-(2,4-dinitrophenyl)-4-methyl-
    • 1-(2,4-dinitrophenyl)-4-methylpiperazine
    • AKOS000423588
    • DTXSID60389348
    • 58910-37-5
    • BS-34011
    • CS-0206358
    • SCHEMBL3313887
    • Inchi: 1S/C11H14N4O4/c1-12-4-6-13(7-5-12)10-3-2-9(14(16)17)8-11(10)15(18)19/h2-3,8H,4-7H2,1H3
    • InChI Key: ZEBGUAUODJBFEV-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=C(C=CC=1N1CCN(C)CC1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 266.10162
  • Monoisotopic Mass: 266.102
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 346
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 98.1?2

Experimental Properties

  • PSA: 92.76

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