4-[(2-Acetylphenyl)Amino]-4-Oxobutanoic Acid
[CAS# 41242-37-9]

Identification

• Name: 4-[(2-Acetylphenyl)Amino]-4-Oxobutanoic Acid
• Synonyms: (Carboxy-3 propionamido)-2 acetophenone; 3-[N-(2-acetylphenyl)carbamoyl]propanoic acid; 4-((2-Acetylphenyl)amino)-4-oxobutanoic acid
• Molecular Formula: C₁₂H₁₃NO₄
• Molecular Weight: 235.24
• CAS Registry Number: 41242-37-9
• SMILES: CC(=O)C1=CC=CC=C1NC(=O)CCC(=O)O
• InChI: 1S/C12H13NO4/c1-8(14)9-4-2-3-5-10(9)13-11(15)6-7-12(16)17/h2-5H,6-7H2,1H3,(H,13,15)(H,16,17)
• InChIKey: AJFVLYLOGPQKGZ-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 509.0±35.0°C at 760 mmHg (Cal.)
• Flash point: 261.7±25.9°C (Cal.)

Safety Data

• Safety Description: IRRITANT