Cas no 500890-03-9 (ethyl 2,5-dimethyl-1H-imidazole-4-carboxylate)

ethyl 2,5-dimethyl-1H-imidazole-4-carboxylate structure
500890-03-9 structure
Product Name:ethyl 2,5-dimethyl-1H-imidazole-4-carboxylate
CAS No:500890-03-9
MF:C8H12N2O2
MW:168.193081855774
CID:1017236
PubChem ID:318417
Update Time:2025-04-20

ethyl 2,5-dimethyl-1H-imidazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 2,4-dimethyl-1H-Imidazole-5-carboxylic acid ethyl ester
    • 1H-Imidazole-4-carboxylicacid,2,5-dimethyl-,ethylester(9CI)
    • ethyl 2,4-dimethyl-1H-imidazole-5-carboxylate
    • ethyl 2,5-dimethyl-1H-imidazole-4-carboxylate
    • DTXSID70312445
    • SCHEMBL2616850
    • NSC-254969
    • DA-34382
    • SCHEMBL11482936
    • AKOS026751110
    • 500890-03-9
    • Ethyl2,4-dimethyl-1H-imidazole-5-carboxylate
    • 2,5-DIMETHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
    • AKOS027323612
    • YPOXNCMNUICELH-UHFFFAOYSA-N
    • AVA89003
    • AT10446
    • NSC254969
    • MFCD24445408
    • EN300-181729
    • Z1486011591
    • MDL: MFCD21336362
    • Inchi: 1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-6(3)10-7/h4H2,1-3H3,(H,9,10)
    • InChI Key: YPOXNCMNUICELH-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=C(C)NC(C)=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: 3
  • Complexity: 172
  • 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: 1.4
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 340.7±22.0 °C at 760 mmHg
  • Flash Point: 159.9±22.3 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

ethyl 2,5-dimethyl-1H-imidazole-4-carboxylate Security Information

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