CHEBI:4640 - diphenylamine

ChEBI IDCHEBI:4640
ChEBI Namediphenylamine
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DefinitionAn aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union.
Last Modified27 May 2021
DownloadsMolfile
FormulaC12H11N
Net Charge0
Average Mass169.227
Monoisotopic Mass169.08915
SMILESc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
InChIKeyDMBHHRLKUKUOEG-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
ferroptosis inhibitor  Any substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.
EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor  An EC 1.3.99.* (oxidoreductase acting on donor CH-CH group with other acceptors) inhibitor that interferes with the action of phytoene desaturase (ζ-carotene-forming), EC 1.3.99.29, an enzyme of carotenoid biosynthesis that converts phytoene into ζ-carotene (zeta-carotene) via the symmetrical introduction of two double bonds at the C-11 and C-11' positions of phytoene.
carotogenesis inhibitor  Any inhibitor of the biosynthesis of carotenoids.
fungicide  A substance used to destroy fungal pests.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
diphenylamine (CHEBI:4640) has role antifungal agrochemical (CHEBI:86328)
diphenylamine (CHEBI:4640) has role antioxidant (CHEBI:22586)
diphenylamine (CHEBI:4640) has role carotogenesis inhibitor (CHEBI:72773)
diphenylamine (CHEBI:4640) has role EC 1.3.99.29 [phytoene desaturase (ζ-carotene-forming)] inhibitor (CHEBI:72774)
diphenylamine (CHEBI:4640) has role ferroptosis inhibitor (CHEBI:173084)
diphenylamine (CHEBI:4640) has role radical scavenger (CHEBI:48578)
diphenylamine (CHEBI:4640) is a aromatic amine (CHEBI:33860)
diphenylamine (CHEBI:4640) is a bridged diphenyl fungicide (CHEBI:87039)
diphenylamine (CHEBI:4640) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
p-aminodiphenylamine (CHEBI:59038) has functional parent diphenylamine (CHEBI:4640)
5-[2-(2-oxoethoxy)ethoxy]-diclofenac (CHEBI:61752) has functional parent diphenylamine (CHEBI:4640)
amocarzine (CHEBI:38946) has functional parent diphenylamine (CHEBI:4640)
amoscanate (CHEBI:38944) has functional parent diphenylamine (CHEBI:4640)
diclofenac (CHEBI:47381) has functional parent diphenylamine (CHEBI:4640)
flufenamate (CHEBI:520819) has functional parent diphenylamine (CHEBI:4640)
flufenamic acid (CHEBI:42638) has functional parent diphenylamine (CHEBI:4640)
IUPAC Name 
N-phenylaniline
Synonyms  Source
DiphenylamineKEGG COMPOUND
C6H5‒NH‒C6H5IUPAC
anilinobenzeneNIST Chemistry WebBook
N,N-diphenylamineChemIDplus
DPANIST Chemistry WebBook
N-phenylbenzenamineChemIDplus
Manual XrefsDatabases
C11016KEGG COMPOUND
CPD-9937MetaCyc
HMDB0032562HMDB
DiphenylamineWikipedia
diphenylamineAlan Wood's Pesticides
1335PPDB
Registry NumbersSources
Gmelin:67833Gmelin
Reaxys:508755Reaxys
CAS:122-39-4KEGG COMPOUND
CAS:122-39-4NIST Chemistry WebBook
CAS:122-39-4ChemIDplus
Citations