1-(2-{2-[Bis(2-chloroethyl)amino]ethoxy}-5-nitrophenyl)butan-1-one

Base Information

• Chemical Name: 1-(2-{2-[Bis(2-chloroethyl)amino]ethoxy}-5-nitrophenyl)butan-1-one
• CAS No.: 92756-01-9
• Molecular Formula: C16H22 Cl2 N2 O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID20918976
• Wikidata: Q82891347
• Mol file: 92756-01-9.mol

Synonyms:BNPCA;N-(2-(2-butanoyl)-4-nitrophenoxyethyl)-N,N-bis(2-chloroethyl)amine

Chemical Property of 1-(2-{2-[Bis(2-chloroethyl)amino]ethoxy}-5-nitrophenyl)butan-1-one

Chemical Property:

• Vapor Pressure: 7.23E-08mmHg at 25°C
• Boiling Point: 437.9°Cat760mmHg
• Flash Point: 218.6°C
• PSA: 75.36000
• Density: 1.247g/cm³
• LogP: 4.25920
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 376.0956626
• Heavy Atom Count: 24
• Complexity: 387

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCCN(CCCl)CCCl

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