Cas no 53987-29-4 (Acetamide, N-[2-(methylamino)-5-nitrophenyl]-)

Acetamide, N-[2-(methylamino)-5-nitrophenyl]- structure
53987-29-4 structure
Product Name:Acetamide, N-[2-(methylamino)-5-nitrophenyl]-
CAS No:53987-29-4
MF:C9H11N3O3
MW:209.201941728592
CID:355897
PubChem ID:19805082
Update Time:2025-04-19

Acetamide, N-[2-(methylamino)-5-nitrophenyl]- Chemical and Physical Properties

Names and Identifiers

    • Acetamide, N-[2-(methylamino)-5-nitrophenyl]-
    • N-[2-(methylamino)-5-nitrophenyl]acetamide
    • SCHEMBL9216468
    • DTXSID50600110
    • 53987-29-4
    • Inchi： 1S/C9H11N3O3/c1-6(13)11-9-5-7(12(14)15)3-4-8(9)10-2/h3-5,10H,1-2H3,(H,11,13)
    • InChI Key： WBFNKTLIKZSHIU-UHFFFAOYSA-N
    • SMILES： O=C(C)NC1C=C(C=CC=1NC)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 209.08013
  • Monoisotopic Mass: 209.08004122g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 252
  • 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: 0.9
  • Topological Polar Surface Area: 87?2

Experimental Properties

  • PSA: 84.27

Acetamide, N-[2-(methylamino)-5-nitrophenyl]- Related Literature

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