4-[(3-Methylphenyl)Amino]-4-Oxobutanoic Acid
[CAS# 62134-48-9]

Identification

• Name: 4-[(3-Methylphenyl)Amino]-4-Oxobutanoic Acid
• Synonyms: 3-[(3-methylphenyl)carbamoyl]propanoic acid; 3-[N-(3-methylphenyl)carbamoyl]propanoic acid; 4-[(3-methylphenyl)amino]-4-oxobutanoic acid
• Molecular Formula: C₁₁H₁₃NO₃
• Molecular Weight: 207.23
• CAS Registry Number: 62134-48-9
• SMILES: CC1=CC(=CC=C1)NC(=O)CCC(=O)O
• InChI: 1S/C11H13NO3/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(14)15/h2-4,7H,5-6H2,1H3,(H,12,13)(H,14,15)
• InChIKey: VRJAEQGSNATVEE-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 453.2±28.0°C at 760 mmHg (Cal.)
• Flash point: 227.9±24.0°C (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): B. Thimme Gowda, Sabine Foro, B. S. Saraswathi and Hartmut Fuess . N-(3-Methylphenyl)succinamic acid , Acta Cryst (2010). E66, o394Â Â