CHEBI:59038 - p-aminodiphenylamine

ChEBI IDCHEBI:59038
ChEBI Namep-aminodiphenylamine
Stars
ASCII Namep-aminodiphenylamine
DefinitionAn aromatic amine that is the 4-amino derivative of diphenylamine.
Last Modified12 March 2019
Submitterzjosephs
DownloadsMolfile
FormulaC12H12N2
Net Charge0
Average Mass184.242
Monoisotopic Mass184.10005
SMILESNc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
InChIKeyATGUVEKSASEFFO-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)
p-aminodiphenylamine (CHEBI:59038) has functional parent diphenylamine (CHEBI:4640)
p-aminodiphenylamine (CHEBI:59038) has role allergen (CHEBI:50904)
p-aminodiphenylamine (CHEBI:59038) is a aromatic amine (CHEBI:33860)
p-aminodiphenylamine (CHEBI:59038) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
N,N'-diphenyl-1,4-phenylenediamine (CHEBI:34860) has functional parent p-aminodiphenylamine (CHEBI:59038)
IUPAC Name 
N-phenylbenzene-1,4-diamine
Synonyms  Source
4-AminodiphenylamineChemIDplus
Azosalt RChemIDplus
Luxan Black RChemIDplus
N, 4'-BianilineChemIDplus
N-4'-BianilineChemIDplus
N-Phenyl-1,4-benzenediamineChemIDplus
Registry NumbersSources
Gmelin:241334Gmelin
Reaxys:908935Reaxys
CAS:101-54-2ChemIDplus
CAS:101-54-2NIST Chemistry WebBook
Citations