(2E)-4-[(3-Ethylphenyl)Amino]-4-Oxo-2-Butenoic Acid
[CAS# 544466-37-7]

Identification

• Name: (2E)-4-[(3-Ethylphenyl)Amino]-4-Oxo-2-Butenoic Acid
• Synonyms: (2E)-3-[N-(3-ethylphenyl)carbamoyl]prop-2-enoic acid; (2E)-4-[(3-ethylphenyl)amino]-4-oxobut-2-enoic acid; (E)-4-((3-ethylphenyl)amino)-4-oxobut-2-enoic acid
• Molecular Formula: C₁₂H₁₃NO₃
• Molecular Weight: 219.24
• CAS Registry Number: 544466-37-7
• SMILES: O=C(Nc1cc(ccc1)CC)\C=C\C(=O)O
• InChI: 1S/C12H13NO3/c1-2-9-4-3-5-10(8-9)13-11(14)6-7-12(15)16/h3-8H,2H2,1H3,(H,13,14)(H,15,16)/b7-6+
• InChIKey: KMKWOFRSOXHIAE-VOTSOKGWSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 447.063°C at 760 mmHg (Cal.)
• Flash point: 224.176°C (Cal.)
• Refractive index: 1.607 (Cal.)