N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-7-(trifluoromethyl)quinolin-4-amine

Base Information

• Chemical Name: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-7-(trifluoromethyl)quinolin-4-amine
• CAS No.: 91919-63-0
• Molecular Formula: C21H19 Cl2 F3 N4
• Molecular Weight: 0
• NSC Number: 313940
• Mol file: 91919-63-0.mol

Synonyms:NSC313940;NSC-313940

Chemical Property of N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-7-(trifluoromethyl)quinolin-4-amine

Chemical Property:

• Vapor Pressure: 3.06E-13mmHg at 25°C
• Boiling Point: 575.4°Cat760mmHg
• Flash Point: 301.8°C
• PSA: 40.52000
• Density: 1.32g/cm³
• LogP: 6.05660
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 454.0938865
• Heavy Atom Count: 30
• Complexity: 535

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=NNC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)N(CCCl)CCCl
• Isomeric SMILES: C1=CC(=CC=C1/C=N/NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)N(CCCl)CCCl

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