1H-Indole-3-propanoicacid, ethyl ester

Modify Date: 2025-08-25 20:10:12

1H-Indole-3-propanoicacid, ethyl ester Structure
1H-Indole-3-propanoicacid, ethyl ester structure
Common Name 1H-Indole-3-propanoicacid, ethyl ester
CAS Number 40641-03-0 Molecular Weight 217.26400
Density 1.157g/cm3 Boiling Point 367.8ºC at 760mmHg
Molecular Formula C13H15NO2 Melting Point N/A
MSDS N/A Flash Point 176.3ºC

 Names

Name ethyl 3-(1H-indol-3-yl)propanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.157g/cm3
Boiling Point 367.8ºC at 760mmHg
Molecular Formula C13H15NO2
Molecular Weight 217.26400
Flash Point 176.3ºC
Exact Mass 217.11000
PSA 42.09000
LogP 2.66360
Index of Refraction 1.594
InChIKey ZMGHKYYNDUANOZ-UHFFFAOYSA-N
SMILES CCOC(=O)CCc1c[nH]c2ccccc12

 Synthetic Route

~99%

1H-Indole-3-propanoicacid, ethyl ester Structure

1H-Indole-3-pro...

CAS#:40641-03-0

Literature: Pedras, M. Soledade C.; Minic, Zoran; Thongbam, Premila D.; Bhaskar, Vangala; Montaut, Sabine Phytochemistry, 2010 , vol. 71, # 17-18 p. 1952 - 1962

~91%

1H-Indole-3-propanoicacid, ethyl ester Structure

1H-Indole-3-pro...

CAS#:40641-03-0

Literature: Mohammadpoor-Baltork, Iraj; Reza Memarian, Hamid; Reza Khosropour, Ahmad; Nikoofar, Kobra Heterocycles, 2006 , vol. 68, # 9 p. 1837 - 1843

~%

1H-Indole-3-propanoicacid, ethyl ester Structure

1H-Indole-3-pro...

CAS#:40641-03-0

Literature: Ciba-Geigy Corporation Patent: US4536505 A1, 1985 ;

~%

1H-Indole-3-propanoicacid, ethyl ester Structure

1H-Indole-3-pro...

CAS#:40641-03-0

Literature: Smith; Sogn Journal of the American Chemical Society, 1945 , vol. 67, p. 822

 1H-Indole-3-propanoicacid, ethyl esterBioassay

View more

Name: Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MI...
Source: ChEMBL
Target: Acinetobacter baumannii
External Id: CHEMBL4296188
Name: Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC...
Source: ChEMBL
Target: Pseudomonas aeruginosa
External Id: CHEMBL4296187
Name: Antifungal activity against Cryptococcus neoformans H99 ATCC 208821 (CO-ADD:FG_002); ...
Source: ChEMBL
Target: Cryptococcus neoformans
External Id: CHEMBL4296190
Name: Antifungal activity against Candida albicans ATCC 90028 (CO-ADD:FG_001); MIC in YNB m...
Source: ChEMBL
Target: Candida albicans
External Id: CHEMBL4296189
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020);...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL4296184
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
Source: ChEMBL
Target: Klebsiella pneumoniae
External Id: CHEMBL4296186
Name: Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CA...
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL4296185
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 Synonyms

3-indolepropanoic acid,ethyl ester
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