Pirralkonium bromide

Base Information

• Chemical Name: Pirralkonium bromide
• CAS No.: 17243-65-1
• Molecular Formula: C35H72 N3 . Br
• Molecular Weight: 614.8703
• UNII: 6WVM5HPV4T
• DSSTox Substance ID: DTXSID40938156
• Wikidata: Q21547184
• NCI Thesaurus Code: C66436
• ChEMBL ID: CHEMBL2106964
• Mol file: 17243-65-1.mol

Synonyms:Pirralkonium bromide;UNII-6WVM5HPV4T;Pirralkonium bromide [INN];17243-65-1;6WVM5HPV4T;bis[3-(2,5-dimethylpyrrolidin-1-yl)propyl]-hexadecyl-methylazanium;bromide;C35H72BrN3;SCHEMBL2733174;CHEMBL2106964;C35-H72-Br-N3;DTXSID40938156;Q21547184;Bis(3-(2,5-dimethyl-1-pyrrolidinyl)propyl)hexadecylmethylammonium bromide;Ammonium, bis[3-(2,5-dimethyl-1-pyrrolidinyl)propyl]hexadecylmethyl-, bromide;N,N-Bis[3-(2,5-dimethylpyrrolidin-1-yl)propyl]-N-methylhexadecan-1-aminium bromide;1-Pyrrolidinepropanaminium, N-[3-(2,5-dimethyl-1-pyrrolidinyl)propyl]-hexadecyl-N,2,5-trimethyl-, bromide

Chemical Property of Pirralkonium bromide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 6.48000
• Density: g/cm³
• LogP: 6.31990
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 23
• Exact Mass: 613.49096
• Heavy Atom Count: 39
• Complexity: 513

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC[N+](C)(CCCN1C(CCC1C)C)CCCN2C(CCC2C)C.[Br-]