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CHEBI:28738 - 2,6-dimethylaniline

ChEBI IDCHEBI:28738
ChEBI Name2,6-dimethylaniline
Stars
DefinitionA primary arylamine that is aniline in which the hydrogens at the 2- and 6-positions are replaced by methyl groups. It is used in the production of some anasthetics and other chemicals. It is a drug metabolite of lidocaine (local anasthetic).
Secondary ChEBI IDsCHEBI:956, CHEBI:19404
Last Modified28 July 2014
DownloadsMolfile
FormulaC8H11N
Net Charge0
Average Mass121.183
Monoisotopic Mass121.08915
SMILESCc1cccc(C)c1N
InChIInChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
InChIKeyUFFBMTHBGFGIHF-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
ChEBI Ontology
Outgoing Relation(s)
2,6-dimethylaniline (CHEBI:28738) has role carcinogenic agent (CHEBI:50903)
2,6-dimethylaniline (CHEBI:28738) has role drug metabolite (CHEBI:49103)
2,6-dimethylaniline (CHEBI:28738) is a dimethylaniline (CHEBI:23806)
2,6-dimethylaniline (CHEBI:28738) is a primary arylamine (CHEBI:50471)
Incoming Relation(s)
N-(2,6-dimethylphenyl)-N2-(3,5-dimethylphenyl)glycinamide (CHEBI:75364) has functional parent 2,6-dimethylaniline (CHEBI:28738)
IUPAC Name 
2,6-dimethylaniline
Synonyms  Source
2,6-DimethylanilineKEGG COMPOUND
2,6-DMAKEGG COMPOUND
2,6-xylidineChemIDplus
1-amino-2,6-dimethylbenzeneChemIDplus
vic-m-xylidineChEBI
2,6-dimethylbenzenamineChemIDplus
Manual XrefsDatabases
C11004KEGG COMPOUND
HMDB0060677HMDB
2,6-XylidineWikipedia
Registry NumbersSources
Reaxys:636332Reaxys
CAS:87-62-7KEGG COMPOUND
CAS:87-62-7ChemIDplus
CAS:87-62-7NIST Chemistry WebBook
Citations