Cas no 773138-27-5 (1H-Imidazole-5-carboxylicacid, 2-ethyl-, ethyl ester)

1H-Imidazole-5-carboxylicacid, 2-ethyl-, ethyl ester structure
773138-27-5 structure
Product Name:1H-Imidazole-5-carboxylicacid, 2-ethyl-, ethyl ester
CAS No:773138-27-5
MF:C8H12N2O2
MW:168.193081855774
MDL:MFCD14636079
CID:552122
PubChem ID:45082644
Update Time:2025-04-19

1H-Imidazole-5-carboxylicacid, 2-ethyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-5-carboxylicacid, 2-ethyl-, ethyl ester
    • 1H-Imidazole-4-carboxylicacid, 2-ethyl-, ethyl ester (9CI)
    • ethyl 2-?ethyl-?1H-?imidazole-?4-?carboxylate
    • ethyl 2-ethyl-1H-imidazole-5-carboxylate
    • AKOS006295240
    • MFCD14636079
    • 2-ETHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
    • 773138-27-5
    • Ethyl 2-ethyl-1H-imidazole-4-carboxylate
    • DTXSID20665312
    • MDL: MFCD14636079
    • Inchi: 1S/C8H12N2O2/c1-3-7-9-5-6(10-7)8(11)12-4-2/h5H,3-4H2,1-2H3,(H,9,10)
    • InChI Key: JOJNBIUEMFKJJN-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CN=C(CC)N1)=O

Computed Properties

  • Exact Mass: 168.09
  • Monoisotopic Mass: 168.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 161
  • 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: 55A^2
  • XLogP3: 1.4

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