5-Methyl-2-pyridin-3-YL-3H-imidazole-4-carboxylic acid ethyl ester

Base Information

• Chemical Name: 5-Methyl-2-pyridin-3-YL-3H-imidazole-4-carboxylic acid ethyl ester
• CAS No.: 115835-54-6
• Molecular Formula: C12H13N3O2
• Molecular Weight: 231.25
• DSSTox Substance ID: DTXSID50700801
• Wikidata: Q82632270
• Mol file: 115835-54-6.mol

Synonyms:115835-54-6;5-METHYL-2-PYRIDIN-3-YL-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;ethyl 5-methyl-2-pyridin-3-yl-1H-imidazole-4-carboxylate;5-METHYL-2-(PYRIDIN-3-YL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;Ethyl 4-methyl-2-(pyridin-3-yl)-1H-imidazole-5-carboxylate;1H-Imidazole-5-carboxylic acid, 4-methyl-2-(3-pyridinyl)-, ethyl ester;DTXSID50700801;AMY27514;Ethyl 5-methyl-2-(pyridin-3-yl)-1H-imidazole-4-carboxylate;5-methyl-2-(3-pyridinyl)-1H-imidazole-4-carboxylic acid, ethyl ester

Chemical Property of 5-Methyl-2-pyridin-3-YL-3H-imidazole-4-carboxylic acid ethyl ester

Chemical Property:

• Boiling Point: 445.1±35.0 °C(Predicted)
• PKA: 9.78±0.10(Predicted)
• PSA: 67.87000
• Density: 1.216±0.06 g/cm3(Predicted)
• LogP: 1.95680
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 231.100776666
• Heavy Atom Count: 17
• Complexity: 273

Purity/Quality:

98%min ^*data from raw suppliers

5-METHYL-2-PYRIDIN-3-YL-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(NC(=N1)C2=CN=CC=C2)C