CHEBI:167207 - benzododecinium bromide

ChEBI IDCHEBI:167207
ChEBI Namebenzododecinium bromide
Stars
DefinitionThe organic bromide salt of benzododecinium. It is a cationic surfactant that has antispetic and disinfectant properties.
Last Modified20 January 2021
SubmitterAdnan
DownloadsMolfile
FormulaBr.C21H38N
Net Charge0
Average Mass384.446
Monoisotopic Mass383.21876
SMILESCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Br-]
InChIInChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
InChIKeyKHSLHYAUZSPBIU-UHFFFAOYSA-M
Wikipedia
Roles Classification
Chemical Role:
surfactant  A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces.
Biological Role:
disinfectant  An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity.
Application:
antiseptic drug  A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body).
ChEBI Ontology
Outgoing Relation(s)
benzododecinium bromide (CHEBI:167207) has part benzododecinium (CHEBI:135611)
benzododecinium bromide (CHEBI:167207) has role antiseptic drug (CHEBI:48218)
benzododecinium bromide (CHEBI:167207) has role disinfectant (CHEBI:48219)
benzododecinium bromide (CHEBI:167207) has role surfactant (CHEBI:35195)
benzododecinium bromide (CHEBI:167207) is a organic bromide salt (CHEBI:48369)
benzododecinium bromide (CHEBI:167207) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name 
N-benzyl-N,N-dimethyldodecan-1-aminium bromide
Synonyms  Source
dimethyldodecylbenzylammonium bromideChemIDplus
benzyldodecyldimethylammonium bromideNIST Chemistry WebBook
N-dodecyl-N,N-dimethylbenzenemethanaminium bromideChemIDplus
dodecyl dimethyl benzyl ammonium bromideChemIDplus
dimethyl laurylbenzene ammonium bromideChemIDplus
benzyldimethyldodecylammonium bromideChemIDplus
Brand Names  Source
SterinolChemIDplus
AjatinChEBI
Sinnoquat BL 95ChemIDplus
Bacfor BLChemIDplus
Manual XrefsDatabases
Benzododecinium_bromideWikipedia
22165ChemSpider
Registry NumbersSources
Reaxys:3579193Reaxys
CAS:7281-04-1ChemIDplus
CAS:7281-04-1NIST Chemistry WebBook
Citations