EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:17735 - N,N-dimethylaniline N-oxide

ChEBI IDCHEBI:17735
ChEBI NameN,N-dimethylaniline N-oxide
Stars
ASCII NameN,N-dimethylaniline N-oxide
DefinitionA member of the class of dimethylanilines that is N,N-dimethylaniline in which the tertiary amino group has been oxidised to give the corresponding N-oxide.
Secondary ChEBI IDsCHEBI:7075, CHEBI:12424, CHEBI:21453
Last Modified23 September 2020
DownloadsMolfile
FormulaC8H11NO
Net Charge0
Average Mass137.182
Monoisotopic Mass137.08406
SMILESCN(C)(=O)c1ccccc1
InChIInChI=1S/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyLKQUDAOAMBKKQW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N,N-dimethylaniline N-oxide (CHEBI:17735) has functional parent N,N-dimethylaniline (CHEBI:16269)
N,N-dimethylaniline N-oxide (CHEBI:17735) is a dimethylaniline (CHEBI:23806)
N,N-dimethylaniline N-oxide (CHEBI:17735) is a tertiary amine oxide (CHEBI:134363)
IUPAC Name 
N,N-dimethylaniline N-oxide
Synonyms  Source
N,N-Dimethylaniline N-oxideKEGG COMPOUND
dimethylaniline N-oxideChemIDplus
dimethyl(phenyl)amine oxideChEBI
UniProt Name  Source
N,N-dimethylaniline N-oxideUniProt
Manual XrefsDatabases
C01183KEGG COMPOUND
FDB022640FooDB
NN-DIMETHYLANILINE-N-OXIDEMetaCyc
HMDB0001466HMDB
Registry NumbersSources
CAS:874-52-2ChemIDplus
Citations