Cas no 38127-55-8 ( )

  structure
  structure
Product Name: 
CAS No:38127-55-8
MF:C8H9N3O2
MW:179.175961256027
CID:923041
PubChem ID:302258
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 4-nitrobenzaldehyde methylhydrazone; 4-Nitro-benzaldehyd-< methyl-hydrazon> ; p-Nitrobenzaldehyd-methylhydrazon; CTK4H9370; 4-Nitro-benzaldehyd-methylhydrazon; AC1L704A; p-nitrobenzylidene methylhydrazine; 4-nitro-benzaldehyde methylhydrazone; AG-F-34328;
    • 4-Nitrobenzaldehyde methylhydrazone
    • DTXSID50307016
    • N-[(4-nitrophenyl)methylideneamino]methanamine
    • 38127-55-8
    • NSC 186012
    •  
    • Inchi： 1S/C8H9N3O2/c1-9-10-6-7-2-4-8(5-3-7)11(12)13/h2-6,9H,1H3
    • InChI Key： OKMMMYIFTDKONT-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC(C=NNC)=CC=1)=O

Computed Properties

  • Exact Mass: 179.06957
  • Monoisotopic Mass: 179.069476538g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 192
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 2.3
  • Topological Polar Surface Area: 70.2?2

Experimental Properties

  • PSA: 67.53

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