3,5-Dimethyl-1H-indole-2-carboxylic acid

Base Information

• Chemical Name: 3,5-Dimethyl-1H-indole-2-carboxylic acid
• CAS No.: 16381-45-6
• Molecular Formula: C₁₁H₁₁NO₂
• Molecular Weight: 189.214
• Hs Code.: 2933990090
• European Community (EC) Number: 850-274-8
• DSSTox Substance ID: DTXSID90390129
• Wikidata: Q82186564
• Mol file: 16381-45-6.mol

Synonyms:3,5-Dimethyl-1H-indole-2-carboxylic acid;16381-45-6;1H-Indole-2-carboxylic acid, 3,5-dimethyl-;1-Boc-3-amniopiperidine;SCHEMBL2816058;DTXSID90390129;GBZZEXCOEXFISD-UHFFFAOYSA-N;MFCD05864521;STK504761;AKOS000266240;SB15194;LS-02879;CS-0105027;FT-0718504;EN300-103388;Z1198166199

Chemical Property of 3,5-Dimethyl-1H-indole-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.44E-07mmHg at 25°C
• Refractive Index: 1.673
• Boiling Point: 413.2°C at 760 mmHg
• PKA: 4.24±0.30(Predicted)
• Flash Point: 203.7°C
• PSA: 53.09000
• Density: 1.287g/cm³
• LogP: 2.48290
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• 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

3,5-Dimethyl-1H-indole-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)NC(=C2C)C(=O)O