2-[3-(4-Pentylphenyl)Prop-2-Enoylamino]Benzoic Acid
[CAS# 110683-10-8]

Identification

• Name: 2-[3-(4-Pentylphenyl)Prop-2-Enoylamino]Benzoic Acid
• Synonyms: 2-[[(E)-3-(4-Pentylphenyl)Prop-2-Enoyl]Amino]Benzoic Acid; 2-[[(E)-1-Oxo-3-(4-Pentylphenyl)Prop-2-Enyl]Amino]Benzoic Acid; 2-[[1-Oxo-3-(4-Pentylphenyl)Prop-2-Enyl]Amino]Benzoic Acid
• Molecular Formula: C₂₁H₂₃NO₃
• Molecular Weight: 337.42
• CAS Registry Number: 110683-10-8
• SMILES: C1=C(C(=CC=C1)NC(=O)\C=C\C2=CC=C(C=C2)CCCCC)C(=O)O
• InChI: 1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+
• InChIKey: GAMRBCZMOOMBSQ-CCEZHUSRSA-N

Properties

• Density: 1.179g/cm³ (Cal.)
• Boiling point: 563.141°C at 760 mmHg (Cal.)
• Flash point: 294.377°C (Cal.)