1-Methyl-1H-indol-3-yl butyrate

Base Information

• Chemical Name: 1-Methyl-1H-indol-3-yl butyrate
• CAS No.: 20485-22-7
• Molecular Formula: C13H15 N O2
• Molecular Weight: 217.26
• DSSTox Substance ID: DTXSID5066619
• Nikkaji Number: J422.067F
• Wikidata: Q81993195
• Mol file: 20485-22-7.mol

Synonyms:1-Methyl-1H-indol-3-yl butyrate;20485-22-7;(1-methylindol-3-yl) butanoate;N-Methylindox-3-yl butyrate;1-methyl-1H-indol-3-yl butanoate;Butanoic acid, 1-methyl-1H-indol-3-yl ester;(1-methylindol-3-yl)butanoate;DTXSID5066619;1-Methyl-1H-indol-3-ylbutyrate;MFCD00050399;STK448067;AKOS003325208;FD10328;CS-0358198;A879602;BUTANOIC ACID 1-METHYL-1H-INDOL-3-YL ESTER

Chemical Property of 1-Methyl-1H-indol-3-yl butyrate

Chemical Property:

• Vapor Pressure: 3.81E-05mmHg at 25°C
• Boiling Point: 352.6°Cat760mmHg
• Flash Point: 167°C
• PSA: 31.23000
• Density: 1.09g/cm³
• LogP: 2.88380
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 217.110278721
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

1-Methyl-1H-indol-3-ylbutyrate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1=CN(C2=CC=CC=C21)C