2-(4-Amylcinnamoyl)Amino-4-Chlorobenzoic Acid
[CAS# 99754-06-0]

Identification

• Name: 2-(4-Amylcinnamoyl)Amino-4-Chlorobenzoic Acid
• Synonyms: 4-Chloro-2-[[(E)-1-Oxo-3-(4-Pentylphenyl)Prop-2-Enyl]Amino]Benzoic Acid; 2-[[(E)-3-(4-Amylphenyl)Acryloyl]Amino]-4-Chloro-Benzoic Acid; Ono-Rs-082
• Molecular Formula: C₂₁H₂₂ClNO₃
• Molecular Weight: 371.86
• CAS Registry Number: 99754-06-0
• SMILES: C1=C(Cl)C=CC(=C1NC(\C=C\C2=CC=C(C=C2)CCCCC)=O)C(O)=O
• InChI: 1S/C21H22ClNO3/c1-2-3-4-5-15-6-8-16(9-7-15)10-13-20(24)23-19-14-17(22)11-12-18(19)21(25)26/h6-14H,2-5H2,1H3,(H,23,24)(H,25,26)/b13-10+
• InChIKey: MDVFITMPFHDRBZ-JLHYYAGUSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 580.493°C at 760 mmHg (Cal.)
• Flash point: 304.872°C (Cal.)