4-[Bis(2-Chloroethyl)Amino]-N-[4-(Quinolin-4-Ylamino)Phenyl]Benzamide Hydrochloride
[CAS# 133041-57-3]

Identification

• Name: 4-[Bis(2-Chloroethyl)Amino]-N-[4-(Quinolin-4-Ylamino)Phenyl]Benzamide Hydrochloride
• Synonyms: 4-[Bis(2-Chloroethyl)Amino]-N-[4-(4-Quinolylamino)Phenyl]Benzamide Hydrochloride; 4-(Bis(2-Chloroethyl)Amino)-N-(4-(4-Quinolinylamino)Phenyl)Benzamide Monohydrochloride
• Molecular Formula: C₂₆H₂₅Cl₃N₄O
• Molecular Weight: 515.87
• CAS Registry Number: 133041-57-3
• SMILES: [H+].C1=C(N(CCCl)CCCl)C=CC(=C1)C(=O)NC4=CC=C(NC2=CC=NC3=CC=CC=C23)C=C4.[Cl-]
• InChI: 1S/C26H24Cl2N4O.ClH/c27-14-17-32(18-15-28)22-11-5-19(6-12-22)26(33)31-21-9-7-20(8-10-21)30-25-13-16-29-24-4-2-1-3-23(24)25;/h1-13,16H,14-15,17-18H2,(H,29,30)(H,31,33);1H
• InChIKey: RWJMMDIEMLXJER-UHFFFAOYSA-N

Properties

• Boiling point: 606.5°C at 760 mmHg (Cal.)
• Flash point: 320.6°C (Cal.)