4-[(2-Ethylphenyl)Amino]-4-Oxobutanoic Acid
[CAS# 401629-43-4]

Identification

• Name: 4-[(2-Ethylphenyl)Amino]-4-Oxobutanoic Acid
• Synonyms: 3-[N-(2-ethylphenyl)carbamoyl]propanoic acid; 4-(2-ethylanilino)-4-oxobutanoic acid; 4-[(2-Ethylphenyl)amino]-4-oxobutanoic acid
• Molecular Formula: C₁₂H₁₅NO₃
• Molecular Weight: 221.25
• CAS Registry Number: 401629-43-4
• SMILES: CCC1=CC=CC=C1NC(=O)CCC(=O)O
• InChI: 1S/C12H15NO3/c1-2-9-5-3-4-6-10(9)13-11(14)7-8-12(15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H,15,16)
• InChIKey: JZILYRXPMRCUTI-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 462.4±38.0°C at 760 mmHg (Cal.)
• Flash point: 233.4±26.8°C (Cal.)
• Refractive index: 1.58 (Cal.)

Safety Data

• Safety Description: IRRITANT