4-{[2-(2-Methyl-2-propanyl)phenyl]amino}-4-oxobutanoic acid
[CAS# 904807-77-8]

Identification

• Name: 4-{[2-(2-Methyl-2-propanyl)phenyl]amino}-4-oxobutanoic acid
• Synonyms: 3-{N-[2-(tert-butyl)phenyl]carbamoyl}propanoic acid; 4-[(2-Tert-butylphenyl)amino]-4-oxobutanoic acid; 4-[(2-tert-butylphenyl)amino]-4-oxobutanoicacid
• Molecular Formula: C₁₄H₁₉NO₃
• Molecular Weight: 249.31
• CAS Registry Number: 904807-77-8
• SMILES: CC(C)(C)C1=CC=CC=C1NC(=O)CCC(=O)O
• InChI: 1S/C14H19NO3/c1-14(2,3)10-6-4-5-7-11(10)15-12(16)8-9-13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)
• InChIKey: OHADMZXCKCKARP-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 460.6±38.0°C at 760 mmHg (Cal.)
• Flash point: 232.3±26.8°C (Cal.)
• Refractive index: 1.556 (Cal.)

Safety Data

• Safety Description: IRRITANT