(2E)-4-[(2-Ethylphenyl)amino]-4-oxo-2-butenoic acid
[CAS# 87489-40-5]

Identification

• Name: (2E)-4-[(2-Ethylphenyl)amino]-4-oxo-2-butenoic acid
• Synonyms: 3-(2-Ethyl-phenylcarbamoyl)-acrylic acid; 4-[(2-ETHYLPHENYL)AMINO]-4-OXOBUT-2-ENOIC ACID
• Molecular Formula: C₁₂H₁₃NO₃
• Molecular Weight: 219.24
• CAS Registry Number: 87489-40-5
• SMILES: O=C(Nc1ccccc1CC)\C=C\C(=O)O
• InChI: 1S/C12H13NO3/c1-2-9-5-3-4-6-10(9)13-11(14)7-8-12(15)16/h3-8H,2H2,1H3,(H,13,14)(H,15,16)/b8-7+
• InChIKey: HWJURJPNHHFMHJ-BQYQJAHWSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 447.076°C at 760 mmHg (Cal.)
• Flash point: 224.184°C (Cal.)