1-Ethyl-2-Methyl-5-(Phenylmethyl)Pyrrole-3,4-Dicarboxylic Acid
[CAS# 162152-03-6]

Identification

• Name: 1-Ethyl-2-Methyl-5-(Phenylmethyl)Pyrrole-3,4-Dicarboxylic Acid
• Synonyms: 2-(Benzyl)-1-Ethyl-5-Methyl-Pyrrole-3,4-Dicarboxylic Acid; 1H-Pyrrole-3,4-Dicarboxylic Acid, 1-Ethyl-2-Methyl-5-(Phenylmethyl)-; Aids-028422
• Molecular Formula: C₁₆H₁₇NO₄
• Molecular Weight: 287.31
• CAS Registry Number: 162152-03-6
• SMILES: C2=C(CC1=C(C(=C([N]1CC)C)C(=O)O)C(=O)O)C=CC=C2
• InChI: 1S/C16H17NO4/c1-3-17-10(2)13(15(18)19)14(16(20)21)12(17)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,18,19)(H,20,21)
• InChIKey: VXEACWRQQKJMQE-UHFFFAOYSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 485.781°C at 760 mmHg (Cal.)
• Flash point: 247.592°C (Cal.)