1,5-Dimethyl-1H-indole-2-carboxylic acid

Base Information

• Chemical Name: 1,5-Dimethyl-1H-indole-2-carboxylic acid
• CAS No.: 216210-59-2
• Molecular Formula: C11H11NO2
• Molecular Weight: 189.21054
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40359084
• Wikidata: Q82140095
• Mol file: 216210-59-2.mol

Synonyms:1,5-Dimethyl-1H-indole-2-carboxylic acid;216210-59-2;5-METHYL-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID;1,5-dimethylindole-2-carboxylic acid;1,5-DIMETHYL-1H-INDOLE-2-CARBOXYLICACID;SCHEMBL5599830;DTXSID40359084;MFCD03848206;STK191315;AKOS000343681;LS-04505;BB 0220017;CS-0315047;FT-0677447;EN300-155755;1,5-Dimethyl-1H-indole-2-carboxylic acid, AldrichCPR

Chemical Property of 1,5-Dimethyl-1H-indole-2-carboxylic acid

Chemical Property:

• Boiling Point: 401.6±25.0 °C(Predicted)
• PKA: 4.24±0.30(Predicted)
• PSA: 42.23000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 2.18490
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.078978594
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

98%min ^*data from raw suppliers

1,5-dimethyl-1H-indole-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N(C(=C2)C(=O)O)C