Phenol, p-(bis(2-chloroethyl)amino)-, hexanoate (ester)

Base Information

• Chemical Name: Phenol, p-(bis(2-chloroethyl)amino)-, hexanoate (ester)
• CAS No.: 76806-93-4
• Molecular Formula: C16H23Cl2NO2
• Molecular Weight: 332.2653
• DSSTox Substance ID: DTXSID90227623
• Nikkaji Number: J79.075C
• Wikidata: Q83107428
• Mol file: 76806-93-4.mol

Synonyms:p-N,N-Bis(2-chloroethyl)aminophenol hexanoate ester;Phenol, p-(bis(2-chloroethyl)amino)-, hexanoate (ester);76806-93-4;DTXSID90227623;LS-104045;Hexanoic acid 4-[bis(2-chloroethyl)amino]phenyl ester

Chemical Property of Phenol, p-(bis(2-chloroethyl)amino)-, hexanoate (ester)

Chemical Property:

• Vapor Pressure: 5.77E-08mmHg at 25°C
• Boiling Point: 440.7°Cat760mmHg
• Flash Point: 220.3°C
• PSA: 29.54000
• Density: 1.158g/cm³
• LogP: 4.45630
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 331.1105844
• Heavy Atom Count: 21
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl