(2E)-4-[(3,4-Dimethylphenyl)Amino]-4-Oxo-2-Butenoic Acid
[CAS# 198220-55-2]

Identification

• Name: (2E)-4-[(3,4-Dimethylphenyl)Amino]-4-Oxo-2-Butenoic Acid
• Synonyms: (2E)-3-[N-(3,4-dimethylphenyl)carbamoyl]prop-2-enoic acid; (2E)-4-(3,4-Dimethylanilino)-4-oxo-2-butenoic acid; (2E)-4-(3,4-Dimethylanilino)-4-oxo-2-butenoic acid #
• Molecular Formula: C₁₂H₁₃NO₃
• Molecular Weight: 219.24
• CAS Registry Number: 198220-55-2
• SMILES: CC1=C(C=C(C=C1)NC(=O)/C=C/C(=O)O)C
• 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-AATRIKPKSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 454.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 228.8±28.7°C (Cal.)
• Refractive index: 1.609 (Cal.)

Safety Data

• Safety Description: IRRITANT