Pafencil

Base Information

• Chemical Name: Pafencil
• CAS No.: 53498-76-3
• Molecular Formula: C19H20 Cl2 N2 O3
• Molecular Weight: 395.28
• DSSTox Substance ID: DTXSID10968228
• Wikidata: Q16714131
• Mol file: 53498-76-3.mol

Synonyms:4-di(2-chloroethyl)aminophenacetyl-4-aminobenzoic acid;pafencil;pafencil monohydrochloride;paphencil;paphencyl

Chemical Property of Pafencil

Chemical Property:

• Vapor Pressure: 9.16E-18mmHg at 25°C
• Boiling Point: 649.7°Cat760mmHg
• PKA: 4.32±0.10(Predicted)
• Flash Point: 346.7°C
• PSA: 69.64000
• Density: 1.365g/cm³
• LogP: 3.92300
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 394.0850979
• Heavy Atom Count: 26
• Complexity: 442

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)C(=O)O)N(CCCl)CCCl