Cas no 131311-56-3 (3-N,1-Dimethylpyrazole-3,4-diamine)

3-N,1-Dimethylpyrazole-3,4-diamine structure
131311-56-3 structure
Product Name:3-N,1-Dimethylpyrazole-3,4-diamine
CAS No:131311-56-3
MF:C5H10N4
MW:126.15969991684
CID:102361
Update Time:2023-08-02

3-N,1-Dimethylpyrazole-3,4-diamine Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3,4-diamine,N3,1-dimethyl-
    • 1H-Pyrazole-3,4-diamine,N3,1-dimethyl-(9CI)
    • N3,1-Dimethyl-1H-pyrazole-3,4-diamine
    • 3-N,1-Dimethylpyrazole-3,4-diamine
    • Inchi: 1S/C5H10N4/c1-7-5-4(6)3-9(2)8-5/h3H,6H2,1-2H3,(H,7,8)
    • InChI Key: CKTAQORZJFLYHW-UHFFFAOYSA-N
    • SMILES: N1(C)C=C(C(NC)=N1)N

Computed Properties

  • Exact Mass: 126.091
  • Monoisotopic Mass: 126.091
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 95
  • 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
  • Topological Polar Surface Area: 55.9

Experimental Properties

  • Density: 1.26
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