Propylbenzilylcholine mustard

Base Information

• Chemical Name: Propylbenzilylcholine mustard
• CAS No.: 36167-80-3
• Molecular Formula: C21H26 Cl N O3
• Molecular Weight: 375.88904
• Hs Code.: 2922509090
• UNII: 0056KS5787
• DSSTox Substance ID: DTXSID90189732
• Nikkaji Number: J346.502K
• Wikidata: Q27231320
• Mol file: 36167-80-3.mol

Synonyms:Mustard, Propylbenzilylcholine;PRBCM;Propylbenzilylcholine Mustard

Chemical Property of Propylbenzilylcholine mustard

Chemical Property:

• Vapor Pressure: 2.5E-08mmHg at 25°C
• Boiling Point: 434.8°Cat760mmHg
• Flash Point: 216.7°C
• PSA: 49.77000
• Density: 1.169g/cm³
• LogP: 3.41650
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 375.1601214
• Heavy Atom Count: 26
• Complexity: 388

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)CCCl