2-(2-Methyl-2-propanyl)-1H-imidazole-5-carboxylic acid
[CAS# 794495-32-2]

Identification

• Name: 2-(2-Methyl-2-propanyl)-1H-imidazole-5-carboxylic acid
• Synonyms: 1H-Imidazole-4-carboxylic acid, 2-(1,1-dimethylethyl)-; 1H-IMIDAZOLE-5-CARBOXYLICACID, 2-(1,1-DIMETHYLETHYL)-; 2-(tert-butyl)-1H-imidazole-4-carboxylic acid
• Molecular Formula: C₈H₁₂N₂O₂
• Molecular Weight: 168.19
• CAS Registry Number: 794495-32-2
• SMILES: O=C(O)c1cnc(n1)C(C)(C)C
• InChI: 1S/C8H12N2O2/c1-8(2,3)7-9-4-5(10-7)6(11)12/h4H,1-3H3,(H,9,10)(H,11,12)
• InChIKey: MUODHXYBEMXMRB-UHFFFAOYSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 409.15°C at 760 mmHg (Cal.)
• Flash point: 201.247°C (Cal.)
• Refractive index: 1.542 (Cal.)