N-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Sulfanylphenyl]Quinolin-4-Amine Hydrochloride
[CAS# 133041-55-1]

Identification

• Name: N-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Sulfanylphenyl]Quinolin-4-Amine Hydrochloride
• Synonyms: N-[4-[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Thio]Phenyl]-4-Quinolinamine Hydrochloride; Bis(2-Chloroethyl)-[4-[[4-(4-Quinolylamino)Phenyl]Thio]Phenyl]Amine Hydrochloride; N-(4-((4-(Bis(2-Chloroethyl)Amino)Phenyl)Thio)Phenyl)-4-Quinolinamine Monohydrochloride
• Molecular Formula: C₂₅H₂₄Cl₃N₃S
• Molecular Weight: 504.90
• CAS Registry Number: 133041-55-1
• SMILES: [H+].C1=CN=C4C(=C1NC3=CC=C(SC2=CC=C(N(CCCl)CCCl)C=C2)C=C3)C=CC=C4.[Cl-]
• InChI: 1S/C25H23Cl2N3S.ClH/c26-14-17-30(18-15-27)20-7-11-22(12-8-20)31-21-9-5-19(6-10-21)29-25-13-16-28-24-4-2-1-3-23(24)25;/h1-13,16H,14-15,17-18H2,(H,28,29);1H
• InChIKey: JQTZYFRTCNDCKD-UHFFFAOYSA-N

Properties

• Boiling point: 655.8°C at 760 mmHg (Cal.)
• Flash point: 350.4°C (Cal.)