Cas no 40641-03-0 (1H-Indole-3-propanoicacid, ethyl ester)

1H-Indole-3-propanoicacid, ethyl ester structure
40641-03-0 structure
Product Name:1H-Indole-3-propanoicacid, ethyl ester
CAS No:40641-03-0
MF:C13H15NO2
MW:217.263703584671
MDL:MFCD02670229
CID:334432
PubChem ID:225390
Update Time:2025-04-19

1H-Indole-3-propanoicacid, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-3-propanoicacid, ethyl ester
    • ethyl 3-(1H-indol-3-yl)propanoate
    • 3-(1H-indol-3-yl)-propionic acid ethyl ester
    • 3-(3'-indolyl)propionic acid ethyl ester
    • 3-indolepropanoic acid,ethyl ester
    • AC1L5DZW
    • AC1Q6566
    • AR-1I8577
    • CTK4I3489
    • ethyl 3-(3-indolyl)propionate
    • ethyl 3-(indol-3-yl)propionate
    • ethyl-3-(1H-indol-3-yl)propanoate
    • NSC14694
    • NSC61455
    • SureCN392573
    • NSC-61455
    • MFCD02670229
    • Ethyl 1H-Indole-3-propanoate
    • CHEMBL4540701
    • NSC-14694
    • ZMGHKYYNDUANOZ-UHFFFAOYSA-N
    • 40641-03-0
    • SCHEMBL392573
    • AKOS005067943
    • DTXSID90279940
    • SY250571
    • ethyl indole-3-propionate
    • AC8227
    • MDL： MFCD02670229
    • Inchi： 1S/C13H15NO2/c1-2-16-13(15)8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,9,14H,2,7-8H2,1H3
    • InChI Key： ZMGHKYYNDUANOZ-UHFFFAOYSA-N
    • SMILES： O(CC)C(CCC1=CNC2C=CC=CC1=2)=O

Computed Properties

  • Exact Mass: 217.11035
  • Monoisotopic Mass: 217.110279
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 242
  • 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: 2.4
  • Topological Polar Surface Area: 42.1

Experimental Properties

  • Density: 1.157
  • Boiling Point: 367.8°Cat760mmHg
  • Flash Point: 176.3°C
  • Refractive Index: 1.594
  • PSA: 42.09

1H-Indole-3-propanoicacid, ethyl ester Pricemore >>

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