Cas no 681484-74-2 (1-tert-butyl-1H-imidazole-4-carboxylic acid)

1-tert-butyl-1H-imidazole-4-carboxylic acid structure
681484-74-2 structure
Product Name:1-tert-butyl-1H-imidazole-4-carboxylic acid
CAS No:681484-74-2
MF:C8H12N2O2
MW:168.193081855774
CID:1017227
PubChem ID:45082652
Update Time:2025-09-19

1-tert-butyl-1H-imidazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(1,1-dimethylethyl)-1H-Imidazole-4-carboxylic acid
    • 1H-Imidazole-4-carboxylicacid,1-(1,1-dimethylethyl)-(9CI)
    • 1-tert-butylimidazole-4-carboxylic acid
    • 1-tert-butyl-1H-imidazole-4-carboxylic acid
    • 1-(TERT-BUTYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
    • AT39690
    • SCHEMBL22290559
    • 1-(TERT-BUTYL)-1H-IMIDAZOLE-4-CARBOXYLICACID
    • 681484-74-2
    • DTXSID60665316
    • EN300-679263
    • CS-0272738
    • Inchi: 1S/C8H12N2O2/c1-8(2,3)10-4-6(7(11)12)9-5-10/h4-5H,1-3H3,(H,11,12)
    • InChI Key: DTJJWXQHIDFPEW-UHFFFAOYSA-N
    • SMILES: OC(C1=CN(C=N1)C(C)(C)C)=O

Computed Properties

  • Exact Mass: 168.089877630g/mol
  • Monoisotopic Mass: 168.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 186
  • 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: 55.1?2

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