5-isopropyl-1H-indole-2-carboxylic acid

Base Information

• Chemical Name: 5-isopropyl-1H-indole-2-carboxylic acid
• CAS No.: 383132-39-6
• Molecular Formula: C12H13NO2
• Molecular Weight: 203.23700
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL4071613
• DSSTox Substance ID: DTXSID00407671
• Wikidata: Q82212995
• Mol file: 383132-39-6.mol

Synonyms:5-isopropyl-1H-indole-2-carboxylic acid;383132-39-6;5-propan-2-yl-1H-indole-2-carboxylic Acid;CHEMBL4071613;1H-Indole-2-carboxylic acid, 5-(1-methylethyl)-;5-Isopropyl-1H-indole-2-carboxylicacid;5-(propan-2-yl)-1H-indole-2-carboxylic acid;SCHEMBL3643479;DTXSID00407671;BDBM50235744;MFCD02664438;AKOS001476621;AS-18330;BB 0248946;CS-0154271;FT-0660074;O11458

Chemical Property of 5-isopropyl-1H-indole-2-carboxylic acid

Chemical Property:

• Boiling Point: 411.7±25.0 °C(Predicted)
• PKA: 4.46±0.30(Predicted)
• PSA: 53.09000
• Density: 1.235±0.06 g/cm3(Predicted)
• LogP: 2.98950
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

98% ^*data from raw suppliers

5-Isopropyl-1H-indole-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC2=C(C=C1)NC(=C2)C(=O)O