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CHEBI:76288 - 2,6-diaminotoluene

ChEBI IDCHEBI:76288
ChEBI Name2,6-diaminotoluene
Stars
DefinitionA diamine that is toluene in which both of the hydrogens ortho- to the methyl group are replaced by amino groups.
Last Modified18 November 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC7H10N2
Net Charge0
Average Mass122.171
Monoisotopic Mass122.08440
SMILESCc1c(N)cccc1N
InChIInChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3
InChIKeyRLYCRLGLCUXUPO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
ChEBI Ontology
Outgoing Relation(s)
2,6-diaminotoluene (CHEBI:76288) has parent hydride toluene (CHEBI:17578)
2,6-diaminotoluene (CHEBI:76288) has role mutagen (CHEBI:25435)
2,6-diaminotoluene (CHEBI:76288) is a diamine (CHEBI:23666)
2,6-diaminotoluene (CHEBI:76288) is a primary amino compound (CHEBI:50994)
IUPAC Name 
2-methylbenzene-1,3-diamine
Synonyms  Source
2,6-DATChEBI
2,6-diamino-1-methylbenzeneChemIDplus
2,6-toluylenediamineChemIDplus
2,6-tolylenediamineChemIDplus
2-methyl-1,3-benzenediamineChemIDplus
2-methyl-1,3-phenylenediamineChemIDplus
Manual XrefsDatabases
HMDB0041801HMDB
Registry NumbersSources
Reaxys:2079476Reaxys
CAS:823-40-5NIST Chemistry WebBook
CAS:823-40-5ChemIDplus
Citations