Cas no 771579-17-0 (1H-Imidazole-4,5-dimethanamine)

1H-Imidazole-4,5-dimethanamine structure
771579-17-0 structure
Product Name:1H-Imidazole-4,5-dimethanamine
CAS No:771579-17-0
MF:C5H10N4
MW:126.15969991684
CID:551689
PubChem ID:45092609
Update Time:2025-04-19

1H-Imidazole-4,5-dimethanamine Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-4,5-dimethanamine
    • 1H-Imidazole-4,5-dimethanamine(9CI)
    • [4-(aminomethyl)-1H-imidazol-5-yl]methanamine
    • (1H-Imidazole-4,5-diyl)dimethanamine
    • DTXSID60667037
    • SCHEMBL2464583
    • 771579-17-0
    • AKOS006294774
    • Inchi: 1S/C5H10N4/c6-1-4-5(2-7)9-3-8-4/h3H,1-2,6-7H2,(H,8,9)
    • InChI Key: NVXCHCRJASEREF-UHFFFAOYSA-N
    • SMILES: N1C=NC(CN)=C1CN

Computed Properties

  • Exact Mass: 126.0907
  • Monoisotopic Mass: 126.091
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 85
  • 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: 80.7A^2
  • XLogP3: -2.2

Experimental Properties

  • PSA: 80.72
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