3-[(3,3-Dimethylbutanoyl)amino]benzoic acid
[CAS# 915923-42-1]

Identification

• Name: 3-[(3,3-Dimethylbutanoyl)amino]benzoic acid
• Synonyms: 3-(3,3-dimethylbutanoylamino)benzoic acid; 3-[(3,3-Dimethylbutanoyl)amino]benzoic acid; 3-[(3,3-dimethylbutanoyl)amino]benzoicacid
• Molecular Formula: C₁₃H₁₇NO₃
• Molecular Weight: 235.28
• CAS Registry Number: 915923-42-1
• SMILES: CC(C)(C)CC(=O)NC1=CC=CC(=C1)C(=O)O
• InChI: 1S/C13H17NO3/c1-13(2,3)8-11(15)14-10-6-4-5-9(7-10)12(16)17/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)
• InChIKey: FLPJVCYHCRNXQX-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 445.4±28.0°C at 760 mmHg (Cal.)
• Flash point: 223.1±24.0°C (Cal.)
• Refractive index: 1.57 (Cal.)

Safety Data

• Safety Description: IRRITANT