N-Benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)alanine

Base Information

• Chemical Name: N-Benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)alanine
• CAS No.: 4252-37-3
• Molecular Formula: C20H22ClFN2O3
• Molecular Weight: 392.8517
• NSC Number: 81147
• DSSTox Substance ID: DTXSID20962550
• Mol file: 4252-37-3.mol

Synonyms:4252-37-3;N-Benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)alanine;ALANINE, N-BENZOYL-3-(p-((2-CHLOROETHYL)(2-FLUOROETHYL)AMINO)PHENYL)-;NCIOpen2_009255;C20H22ClFN2O3;DTXSID20962550;NSC81147;C20-H22-Cl-F-N2-O3;NSC-81147;LS-15818;4-[(2-Chloroethyl)(2-fluoroethyl)amino]-N-[hydroxy(phenyl)methylidene]phenylalanine;1921-12-6

Chemical Property of N-Benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)alanine

Chemical Property:

• Vapor Pressure: 4.6E-17mmHg at 25°C
• Boiling Point: 636.3°C at 760 mmHg
• Flash Point: 338.6°C
• PSA: 73.13000
• Density: 1.282g/cm³
• LogP: 3.70180
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 392.1302984
• Heavy Atom Count: 27
• Complexity: 466

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)N(CCF)CCCl)C(=O)O

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