beta-Methyl-1H-indole-1-propionic acid

Base Information

• Chemical Name: beta-Methyl-1H-indole-1-propionic acid
• CAS No.: 2457-72-9
• Molecular Formula: C12H13 N O2
• Molecular Weight: 203.23712
• European Community (EC) Number: 219-538-4
• DSSTox Substance ID: DTXSID10947437
• Nikkaji Number: J216.096J
• Mol file: 2457-72-9.mol

Synonyms:2457-72-9;beta-Methyl-1H-indole-1-propionic acid;EINECS 219-538-4;3-(1h-indol-1-yl)butanoic acid;DTXSID10947437;3-Methyl-3-(1H-indol-1-yl)propanoic acid

Chemical Property of beta-Methyl-1H-indole-1-propionic acid

Chemical Property:

• Boiling Point: 388.3°Cat760mmHg
• Flash Point: 188.6°C
• PSA: 42.23000
• Density: 1.17g/cm³
• LogP: 2.67700
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)O)N1C=CC2=CC=CC=C21