Cas no 78415-63-1 (1H-Imidazole-1-hexanamine)

1H-Imidazole-1-hexanamine structure
1H-Imidazole-1-hexanamine structure
Product Name:1H-Imidazole-1-hexanamine
CAS No:78415-63-1
MF:C9H17N3
MW:167.251381635666
CID:534515
PubChem ID:7138477
Update Time:2025-04-19

1H-Imidazole-1-hexanamine Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-1-hexanamine
    • 6-imidazol-1-ylhexan-1-amine
    • OBLYTDCWEDKEKG-UHFFFAOYSA-N
    • MFCD06446910
    • AKOS002670954
    • SCHEMBL3172850
    • 78415-63-1
    • DTXSID70427967
    • Inchi: 1S/C9H17N3/c10-5-3-1-2-4-7-12-8-6-11-9-12/h6,8-9H,1-5,7,10H2
    • InChI Key: OBLYTDCWEDKEKG-UHFFFAOYSA-N
    • SMILES: N1(C=NC=C1)CCCCCCN

Computed Properties

  • Exact Mass: 167.142247555g/mol
  • Monoisotopic Mass: 167.142247555g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 106
  • 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: 0.4
  • Topological Polar Surface Area: 43.8?2
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