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CHEBI:156544 - 2,5-diaminotoluene sulfate

ChEBI IDCHEBI:156544
ChEBI Name2,5-diaminotoluene sulfate
Stars
DefinitionAn organic sulfate salt obtained by combining 2,5-diaminotoluene with one molar equivalent of sulfuric acid; occurs as an intermediate during hair dye formulation.
Last Modified25 September 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H10N2.H2O4S
Net Charge0
Average Mass220.250
Monoisotopic Mass220.05178
SMILESCc1cc(N)ccc1N.O=S(=O)(O)O
InChIInChI=1S/C7H10N2.H2O4S/c1-5-4-6(8)2-3-7(5)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)
InChIKeyKZTWOUOZKZQDMN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
2,5-diaminotoluene sulfate (CHEBI:156544) has functional parent 2-methyl-1,4-phenylenediamine (CHEBI:53619)
2,5-diaminotoluene sulfate (CHEBI:156544) has role allergen (CHEBI:50904)
2,5-diaminotoluene sulfate (CHEBI:156544) is a diamine (CHEBI:23666)
2,5-diaminotoluene sulfate (CHEBI:156544) is a organic sulfate salt (CHEBI:51337)
IUPAC Name 
2-methylbenzene-1,4-diamine sulfate (1:1)
Synonyms  Source
Toluene-2,5-diamine, sulfateChemIDplus
2-Methyl-1,4-benzenediamine sulfateChemIDplus
2-Methyl-p-phenylenediamine sulfateChemIDplus
Registry NumbersSources
CAS:615-50-9ChemIDplus
Citations