CHEBI:32506 - 4,4'-diaminodiphenylmethane

ChEBI IDCHEBI:32506
ChEBI Name4,4'-diaminodiphenylmethane
Stars
DefinitionAn aromatic amine that is diphenylmethane substituted at the 4-position of each benzene ring by an amino group.
Secondary ChEBI IDCHEBI:234513
Last Modified7 March 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC13H14N2
Net Charge0
Average Mass198.269
Monoisotopic Mass198.11570
SMILESNc1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2
InChIKeyYBRVSVVVWCFQMG-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
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)
4,4'-diaminodiphenylmethane (CHEBI:32506) has parent hydride diphenylmethane (CHEBI:38884)
4,4'-diaminodiphenylmethane (CHEBI:32506) has role allergen (CHEBI:50904)
4,4'-diaminodiphenylmethane (CHEBI:32506) has role carcinogenic agent (CHEBI:50903)
4,4'-diaminodiphenylmethane (CHEBI:32506) is a aromatic amine (CHEBI:33860)
IUPAC Name 
4,4'-methylenedianiline
Synonyms  Source
4,4'-DiaminodiphenylmethaneChemIDplus
p,p'-DiaminodiphenylmethaneChemIDplus
4,4'-DiphenylmethanediamineChemIDplus
Bis(4-aminophenyl)methaneChemIDplus
Bis(p-aminophenyl)methaneChemIDplus
DianilinomethaneChemIDplus
Manual XrefsDatabases
4,4'-MethylenedianilineWikipedia
HMDB0041808HMDB
C14288KEGG COMPOUND
1640PPDB
Registry NumbersSources
Reaxys:474706Reaxys
CAS:101-77-9ChemIDplus
CAS:101-77-9NIST Chemistry WebBook
CAS:101-77-9KEGG COMPOUND
Citations