(2Z)-4-[(3,4-Dimethylphenyl)amino]-4-oxo-2-butenoic acid
[CAS# 85843-38-5]

Identification

• Name: (2Z)-4-[(3,4-Dimethylphenyl)amino]-4-oxo-2-butenoic acid
• Synonyms: (2Z)-4-((3,4-dimethylphenyl)amino)-4-oxobut-2-enoic acid; (2Z)-4-[(3,4-dimethylphenyl)amino]-4-oxobut-2-enoic acid; 4-[(3,4-dimethylphenyl)amino]-4-oxo-2-butenoic acid
• Molecular Formula: C₁₂H₁₃NO₃
• Molecular Weight: 219.24
• CAS Registry Number: 85843-38-5
• SMILES: O=C(Nc1cc(c(cc1)C)C)/C=C\C(=O)O
• InChI: 1S/C12H13NO3/c1-8-3-4-10(7-9(8)2)13-11(14)5-6-12(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)/b6-5-
• InChIKey: BKCZXPVWUVICKC-WAYWQWQTSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 454.692°C at 760 mmHg (Cal.)
• Flash point: 228.79°C (Cal.)

References

• (1): B. Thimme Gowda, Miroslav Tokarcík, Jozef Kozísek, K. Shakuntala and Hartmut Fuess . N-(3,4-Dimethylphenyl)maleamic acid , Acta Cryst (2009). E65, o2874 Â