1-Benzyl-4-methyl-1H-imidazole-5-carboxylic acid
[CAS# 787523-31-3]

Identification

• Name: 1-Benzyl-4-methyl-1H-imidazole-5-carboxylic acid
• Synonyms: 1-benzyl-4-methyl-1H-imidazole-5-carboxylic acid; 1H-IMIDAZOLE-5-CARBOXYLICACID, 4-METHYL-1-(PHENYLMETHYL)-
• Molecular Formula: C₁₂H₁₂N₂O₂
• Molecular Weight: 216.24
• CAS Registry Number: 787523-31-3
• SMILES: Cc1c(n(cn1)Cc2ccccc2)C(=O)O
• InChI: 1S/C12H12N2O2/c1-9-11(12(15)16)14(8-13-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,15,16)
• InChIKey: QYLPSVKAEHXMBW-UHFFFAOYSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 452.616°C at 760 mmHg (Cal.)
• Flash point: 227.534°C (Cal.)
• Refractive index: 1.605 (Cal.)