1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
[CAS# 3807-61-2]

Identification

• Name: 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
• Molecular Formula: C₁₄H₁₄NO₂
• Molecular Weight: 228.27
• CAS Registry Number: 3807-61-2
• SMILES: C1=C(C)[N](C(=C1C(=O)[O-])C)CC2=CC=CC=C2
• InChI: 1S/C14H15NO2/c1-10-8-13(14(16)17)11(2)15(10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,16,17)/p-1
• InChIKey: YBCBUHIBNNSACV-UHFFFAOYSA-M

Properties

• Boiling point: 402.411°C at 760 mmHg (Cal.)
• Flash point: 197.171°C (Cal.)