Cas no 1082470-14-1 (2,6-Dimethylindole-3-carboxylic Acid Methyl Ester)

2,6-Dimethylindole-3-carboxylic Acid Methyl Ester structure
1082470-14-1 structure
Product Name:2,6-Dimethylindole-3-carboxylic Acid Methyl Ester
CAS No:1082470-14-1
MF:C12H13NO2
MW:203.237123250961
CID:1098278
PubChem ID:74890490
Update Time:2025-04-20

2,6-Dimethylindole-3-carboxylic Acid Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • 2,6-dimethyl-1H-Indole-3-carboxylic acid methyl ester
    • 2,6-Dimethylindole-3-carboxylic acid methyl ester
    • methyl 2,6-dimethyl-3-indolecarboxylate
    • Methyl 2,6-dimethyl-1H-indole-3-carboxylate
    • 1082470-14-1
    • AMY9399
    • Methyl2,6-dimethyl-1H-indole-3-carboxylate
    • 2,6-Dimethylindole-3-carboxylic Acid Methyl Ester
    • Inchi： 1S/C12H13NO2/c1-7-4-5-9-10(6-7)13-8(2)11(9)12(14)15-3/h4-6,13H,1-3H3
    • InChI Key： BHJAYIUKGMSMHA-UHFFFAOYSA-N
    • SMILES： O(C)C(C1=C(C)NC2C=C(C)C=CC=21)=O

Computed Properties

  • Exact Mass: 203.094628657g/mol
  • Monoisotopic Mass: 203.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 254
  • 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: 2.7
  • Topological Polar Surface Area: 42.1?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 339.9±37.0 °C at 760 mmHg
  • Flash Point: 159.3±26.5 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

2,6-Dimethylindole-3-carboxylic Acid Methyl Ester Security Information

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