Cas no 2199-52-2 (Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate)

Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate structure
2199-52-2 structure
Product Name:Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
CAS No:2199-52-2
MF:C9H13NO2
MW:167.205022573471
MDL:MFCD00022376
CID:256612
PubChem ID:137482
Update Time:2025-04-19

Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
    • 1H-Pyrrole-3-carboxylicacid, 2,5-dimethyl-, ethyl ester
    • Ethyl2,5-dimethylpyrrole-3-carboxylate
    • 2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
    • 2,5-dimethyl-4-ethoxycarbonylpyrrole
    • 2,5-Dimethyl-pyrrol-3-carbonsaeure-aethylester
    • 2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester
    • 3-carboethoxy-2,5-dimeth
    • AC1L3AOR
    • AI-942
    • Maybridge3_006824
    • NSC19437
    • 2,5-Dimethylpyrrole-3-carboxylic acid ethyl ester
    • 2,5-dimethyl-3-carbethoxy-pyrrole
    • NSC-19437
    • AI-942/25034694
    • NSC 19437
    • J-014401
    • Ethyl 2,5-Dimethylpyrrole-3-carboxylate
    • MFCD00022376
    • MLS000862054
    • E83277
    • CHEBI:194785
    • EN300-18716
    • NOCOMGOGAJYTPH-UHFFFAOYSA-N
    • HMS1450G04
    • IDI1_018211
    • AS-8400
    • SMR000461136
    • HMS2802C18
    • CS-0436722
    • SCHEMBL10747580
    • Ethyl2,5-dimethyl-1H-pyrrole-3-carboxylate
    • FT-0625896
    • ethyl 2, 5-dimethyl-1H-pyrrole-3-carboxylate
    • AKOS000265662
    • SB35490
    • CHEMBL1699272
    • NCGC00246702-01
    • DTXSID40176415
    • Z89269601
    • 1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-, ethyl ester
    • 2199-52-2
    • MDL： MFCD00022376
    • Inchi： 1S/C9H13NO2/c1-4-12-9(11)8-5-6(2)10-7(8)3/h5,10H,4H2,1-3H3
    • InChI Key： NOCOMGOGAJYTPH-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1C=C(C)NC=1C)=O

Computed Properties

  • Exact Mass: 167.09469
  • Monoisotopic Mass: 167.094629
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 170
  • 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: 42.1
  • XLogP3: 1.7

Experimental Properties

  • Density: 1.080
  • Melting Point: 118-119 oC
  • Boiling Point: 307 oC
  • Flash Point: 140 oC
  • Refractive Index: 1.4680 (estimate)
  • PSA: 42.09
  • LogP: 1.80820

Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate Pricemore >>

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