Cas no 701298-46-6 (5-ethyl-2-methyl-1H-imidazole-4-carboxylic acid)

5-ethyl-2-methyl-1H-imidazole-4-carboxylic acid structure
701298-46-6 structure
Product Name:5-ethyl-2-methyl-1H-imidazole-4-carboxylic acid
CAS No:701298-46-6
MF:C7H10N2O2
MW:154.166501522064
CID:557311
PubChem ID:23084124
Update Time:2025-04-19

5-ethyl-2-methyl-1H-imidazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-5-carboxylicacid, 4-ethyl-2-methyl-
    • 1H-Imidazole-4-carboxylicacid, 5-ethyl-2-methyl- (9CI)
    • 5-ethyl-2-methyl-1H-imidazole-4-carboxylic acid
    • IZRNFZUMZPPRGJ-UHFFFAOYSA-N
    • DTXSID90630431
    • SCHEMBL948852
    • EN300-1709131
    • 701298-46-6
    • 4-Ethyl-2-methyl-1H-imidazole-5-carboxylic acid
    • Inchi: 1S/C7H10N2O2/c1-3-5-6(7(10)11)9-4(2)8-5/h3H2,1-2H3,(H,8,9)(H,10,11)
    • InChI Key: IZRNFZUMZPPRGJ-UHFFFAOYSA-N
    • SMILES: OC(C1=C(CC)NC(C)=N1)=O

Computed Properties

  • Exact Mass: 154.0743
  • Monoisotopic Mass: 154.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • 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
  • XLogP3: 1.2
  • Topological Polar Surface Area: 66?2

Experimental Properties

  • PSA: 65.98

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