Cas no 97968-80-4 (2-Cyclobutyl-1H-1,3-benzodiazole)

2-Cyclobutyl-1H-1,3-benzodiazole structure
97968-80-4 structure
Product Name:2-Cyclobutyl-1H-1,3-benzodiazole
CAS No:97968-80-4
MF:C11H12N2
MW:172.226382255554
MDL:MFCD09834762
CID:61924
PubChem ID:13415796
Update Time:2025-04-18

2-Cyclobutyl-1H-1,3-benzodiazole Chemical and Physical Properties

Names and Identifiers

    • 2-Cyclobutylbenzimidazole
    • 2-Cyclobutyl-1H-benzimidazole
    • 2-Cyclobutyl-1H-benzo[d]imidazole
    • 1H-Benzimidazole,2-cyclobutyl-(9CI)
    • SCHEMBL2674802
    • 2-cyclobutyl-1H-1,3-benzodiazole
    • 97968-80-4
    • cyclobutyl-benzimidazole
    • A1-19035
    • MFCD09834762
    • LS-10112
    • FT-0759725
    • ANLLPTFGRAIIOZ-UHFFFAOYSA-N
    • AKOS009144449
    • 2-Cyclobutyl-1H-1,3-benzodiazole
    • MDL: MFCD09834762
    • Inchi: 1S/C11H12N2/c1-2-7-10-9(6-1)12-11(13-10)8-4-3-5-8/h1-2,6-8H,3-5H2,(H,12,13)
    • InChI Key: ANLLPTFGRAIIOZ-UHFFFAOYSA-N
    • SMILES: N1C2C=CC=CC=2N=C1C1CCC1

Computed Properties

  • Exact Mass: 172.10000
  • Monoisotopic Mass: 172.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 189
  • 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: 2.9
  • Topological Polar Surface Area: 28.7?2

Experimental Properties

  • Density: 1.223
  • Melting Point: 229-230 oC
  • PSA: 28.68000
  • LogP: 2.83040

2-Cyclobutyl-1H-1,3-benzodiazole Pricemore >>

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