N-(2-Chloroethyl)-N'-({[(2-chloro-1-phenylethyl)(nitroso)carbamoyl](phenyl)amino}methyl)-N-nitrosocarbamimidic acid

Base Information

• Chemical Name: N-(2-Chloroethyl)-N'-({[(2-chloro-1-phenylethyl)(nitroso)carbamoyl](phenyl)amino}methyl)-N-nitrosocarbamimidic acid
• CAS No.: 68060-50-4
• Molecular Formula: C19H20Cl2N6O4
• Molecular Weight: 467.35
• DSSTox Substance ID: DTXSID20987501
• Mol file: 68060-50-4.mol

Synonyms:DTXSID20987501;N-(2-Chloroethyl)-N'-({[(2-chloro-1-phenylethyl)(nitroso)carbamoyl](phenyl)amino}methyl)-N-nitrosocarbamimidic acid

Chemical Property of N-(2-Chloroethyl)-N'-({[(2-chloro-1-phenylethyl)(nitroso)carbamoyl](phenyl)amino}methyl)-N-nitrosocarbamimidic acid

Chemical Property:

• Refractive Index: 1.6500 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: 6.55±0.46(Predicted)
• Flash Point: °C
• PSA: 118.24000
• Density: 1.39g/cm³
• LogP: 4.67020
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 466.0923085
• Heavy Atom Count: 31
• Complexity: 602

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CCl)N(C(=O)N(CNC(=O)N(CCCl)N=O)C2=CC=CC=C2)N=O