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CHEBI:134485 - tridodecylamine

ChEBI IDCHEBI:134485
ChEBI Nametridodecylamine
Stars
DefinitionA tertiary amine consisting of three dodecyl groups attached to a central nitrogen.
Last Modified3 July 2017
SubmitterKeeva
DownloadsMolfile
FormulaC36H75N
Net Charge0
Average Mass522.003
Monoisotopic Mass521.58995
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
InChIKeySWZDQOUHBYYPJD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - MetaboLights (MTBLS313)
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS313)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
ionophore  A compound which can carry specific ions through membranes of cells or organelles.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
tridodecylamine (CHEBI:134485) has role ionophore (CHEBI:24869)
tridodecylamine (CHEBI:134485) has role mouse metabolite (CHEBI:75771)
tridodecylamine (CHEBI:134485) has role rat metabolite (CHEBI:86264)
tridodecylamine (CHEBI:134485) is a tertiary amine (CHEBI:32876)
IUPAC Name 
N,N-didodecyldodecan-1-amine
Synonyms  Source
TrilaurylamineHMDB
N,N-Didodceyl-1-dodecanamineHMDB
Tridodecyl amineHMDB
Tri-n-dodecylamineChemIDplus
Manual XrefsDatabases
HMDB0037822HMDB
Registry NumbersSources
Reaxys:1801669Reaxys
CAS:102-87-4NIST Chemistry WebBook
CAS:102-87-4ChemIDplus
Citations