4-[4-[4-[Bis(2-chloroethyl)amino]phenyl]butanoylamino]benzoic acid
[CAS# 80497-41-2]

Identification

• Name: 4-[4-[4-[Bis(2-chloroethyl)amino]phenyl]butanoylamino]benzoic acid
• Synonyms: 4-[[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxobutyl]Amino]Benzoic Acid; C 72; N-(P-Di(2-Chloroethyl)Aminophenylbutyryl)-P-Aminobenzoic Acid
• Molecular Formula: C₂₁H₂₄Cl₂N₂O₃
• Molecular Weight: 423.34
• CAS Registry Number: 80497-41-2
• SMILES: C1=CC(=CC=C1C(=O)O)NC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl
• InChI: 1S/C21H24Cl2N2O3/c22-12-14-25(15-13-23)19-10-4-16(5-11-19)2-1-3-20(26)24-18-8-6-17(7-9-18)21(27)28/h4-11H,1-3,12-15H2,(H,24,26)(H,27,28)
• InChIKey: YUBXXCXMEWHANB-UHFFFAOYSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 661.582°C at 760 mmHg (Cal.)
• Flash point: 353.912°C (Cal.)