Cas no 61838-90-2 (Ethyl 1,3-dimethyl-1H-indole-2-carboxylate)

Ethyl 1,3-dimethyl-1H-indole-2-carboxylate structure
61838-90-2 structure
Product Name:Ethyl 1,3-dimethyl-1H-indole-2-carboxylate
CAS No:61838-90-2
MF:C13H15NO2
MW:217.263703584671
MDL:MFCD02940967
CID:464939
PubChem ID:4777841
Update Time:2025-04-19

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

Names and Identifiers

    • 1H-Indole-2-carboxylic acid, 1,3-dimethyl-, ethyl ester
    • ethyl 1,3-dimethylindole-2-carboxylate
    • SCHEMBL7878088
    • 61838-90-2
    • CS-0322804
    • DTXSID70406454
    • AKOS004119398
    • ethyl 1,3-dimethyl-1H-indole-2-carboxylate
    • LS-04565
    • MFCD02940967
    • Ethyl 1,3-dimethyl-1H-indole-2-carboxylate
    • MDL: MFCD02940967
    • Inchi: 1S/C13H15NO2/c1-4-16-13(15)12-9(2)10-7-5-6-8-11(10)14(12)3/h5-8H,4H2,1-3H3
    • InChI Key: BXBKNBNJZLQOJH-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=C(C)C2C=CC=CC=2N1C)=O

Computed Properties

  • Exact Mass: 217.11035
  • Monoisotopic Mass: 217.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 267
  • 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: 2.9
  • Topological Polar Surface Area: 31.2?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 341.8±22.0 °C at 760 mmHg
  • Flash Point: 160.5±22.3 °C
  • PSA: 31.23
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Ethyl 1,3-dimethyl-1H-indole-2-carboxylate Security Information

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