Cas no 56866-60-5 (1H-Imidazole-4-pentanenitrile)

1H-Imidazole-4-pentanenitrile structure
1H-Imidazole-4-pentanenitrile structure
Product Name:1H-Imidazole-4-pentanenitrile
CAS No:56866-60-5
MF:C8H11N3
MW:149.193041086197
CID:347612
PubChem ID:55285837
Update Time:2025-04-19

1H-Imidazole-4-pentanenitrile Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-4-pentanenitrile
    • 5-(1H-imidazol-5-yl)pentanenitrile
    • 56866-60-5
    • DTXSID70717456
    • AKOS006352866
    • Inchi: 1S/C8H11N3/c9-5-3-1-2-4-8-6-10-7-11-8/h6-7H,1-4H2,(H,10,11)
    • InChI Key: CBPXDNFRFIBHQW-UHFFFAOYSA-N
    • SMILES: N1C=NC=C1CCCCC#N

Computed Properties

  • Exact Mass: 149.09543
  • Monoisotopic Mass: 149.095297364g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 147
  • 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: 0.8
  • Topological Polar Surface Area: 52.5?2

Experimental Properties

  • PSA: 52.47
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