2-Methyl-5-(2-Methyl-2-Propanyl)-1-Phenyl-1H-Pyrrole-3-Carboxylic Acid
[CAS# 306936-16-3]

Identification

• Name: 2-Methyl-5-(2-Methyl-2-Propanyl)-1-Phenyl-1H-Pyrrole-3-Carboxylic Acid
• Synonyms: 1H-PYRROLE-3-CARBOXYLICACID, 5-(1,1-DIMETHYLETHYL)-2-METHYL-1-PHENYL-; 5-tert-Butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid
• Molecular Formula: C₁₆H₁₉NO₂
• Molecular Weight: 257.33
• CAS Registry Number: 306936-16-3
• SMILES: O=C(O)c2c(n(c1ccccc1)c(c2)C(C)(C)C)C
• InChI: 1S/C16H19NO2/c1-11-13(15(18)19)10-14(16(2,3)4)17(11)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,18,19)
• InChIKey: NHLBUGVWPXSFTL-UHFFFAOYSA-N

Properties

• Density: 1.07g/cm³ (Cal.)
• Boiling point: 402.816°C at 760 mmHg (Cal.)
• Flash point: 197.416°C (Cal.)
• Refractive index: 1.55 (Cal.)