Cas no 132281-90-4 (Ethyl 3-(4-methyl-1H-pyrrol-3-yl)propanoate)

Ethyl 3-(4-methyl-1H-pyrrol-3-yl)propanoate structure
132281-90-4 structure
Product Name:Ethyl 3-(4-methyl-1H-pyrrol-3-yl)propanoate
CAS No:132281-90-4
MF:C10H15NO2
MW:181.231602907181
CID:1028056
PubChem ID:10877744
Update Time:2025-04-20

Ethyl 3-(4-methyl-1H-pyrrol-3-yl)propanoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-(4-methyl-1H-pyrrol-3-yl)propanoate
    • 4-methyl-1H-Pyrrole-3-propanoic acid ethyl ester
    • 3-(2-ethoxycarbonylethyl)-4-methylpyrrole
    • 3-(4-Methyl-1H-pyrrol-3-yl)-propionic acid ethyl ester
    • AK-38481
    • ANW-66588
    • CTK8C1442
    • ethyl 4-methyl-1H-pyrrole-3-propanoate
    • ethyl 4-methylpyrrole-3-propionate
    • MB14624
    • SureCN4406764
    • Ethyl3-(4-methyl-1h-pyrrol-3-yl)propanoate
    • AKOS015843402
    • 1H-Pyrrole-3-propanoic acid, 4-methyl-, ethyl ester
    • 132281-90-4
    • SCHEMBL4406764
    • DBFYFCXLALOQKK-UHFFFAOYSA-N
    • DTXSID90446776
    • DB-031072
    • MDL: MFCD15071675
    • Inchi: 1S/C10H15NO2/c1-3-13-10(12)5-4-9-7-11-6-8(9)2/h6-7,11H,3-5H2,1-2H3
    • InChI Key: DBFYFCXLALOQKK-UHFFFAOYSA-N
    • SMILES: O(CC)C(CCC1=CNC=C1C)=O

Computed Properties

  • Exact Mass: 181.11035
  • Monoisotopic Mass: 181.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • 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
  • XLogP3: 1.5
  • Topological Polar Surface Area: 42.1?2

Experimental Properties

  • Density: 1.066
  • Boiling Point: 283.4°C at 760 mmHg
  • Flash Point: 125.2°C
  • Refractive Index: 1.509
  • PSA: 42.09

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