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CHEBI:17296 - aniline

ChEBI IDCHEBI:17296
ChEBI Nameaniline
Stars
DefinitionA primary arylamine in which an amino functional group is substituted for one of the benzene hydrogens.
Secondary ChEBI IDsCHEBI:2732, CHEBI:13834, CHEBI:22561, CHEBI:40796
Last Modified23 October 2015
DownloadsMolfile
FormulaC6H7N
Net Charge0
Average Mass93.129
Monoisotopic Mass93.05785
SMILESNc1ccccc1
InChIInChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChIKeyPAYRUJLWNCNPSJ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
aniline (CHEBI:17296) is a anilines (CHEBI:22562)
aniline (CHEBI:17296) is a primary arylamine (CHEBI:50471)
Incoming Relation(s)
(2S,3S,4R,5R)-2-(4-aminophenyl)-5-hydroxymethylpyrrolidine-3,4-diol (CHEBI:45008) has functional parent aniline (CHEBI:17296)
N-methylaniline (CHEBI:15733) has functional parent aniline (CHEBI:17296)
anilide (CHEBI:13248) has functional parent aniline (CHEBI:17296)
anilinyl (CHEBI:48372) has functional parent aniline (CHEBI:17296)
benzenamine sulfate (CHEBI:61691) has functional parent aniline (CHEBI:17296)
diethofencarb (CHEBI:4520) has functional parent aniline (CHEBI:17296)
PAP (CHEBI:53758) has functional parent aniline (CHEBI:17296)
pencycuron (CHEBI:7957) has functional parent aniline (CHEBI:17296)
vorinostat (CHEBI:45716) has functional parent aniline (CHEBI:17296)
anilino group (CHEBI:48285) is substituent group from aniline (CHEBI:17296)
IUPAC Name 
aniline
Synonyms  Source
AnilineKEGG COMPOUND
PhenylamineKEGG COMPOUND
BenzenamineKEGG COMPOUND
ANILINEPDBeChem
AnilinNIST Chemistry WebBook
aminobenzeneChemIDplus
UniProt Name  Source
anilineUniProt
Manual XrefsDatabases
C00292KEGG COMPOUND
ANLPDBeChem
DB06728DrugBank
ANILINEMetaCyc
HMDB0003012HMDB
AnilineWikipedia
Registry NumbersSources
Gmelin:2796Gmelin
Reaxys:605631Reaxys
CAS:62-53-3KEGG COMPOUND
CAS:62-53-3ChemIDplus
CAS:62-53-3NIST Chemistry WebBook
Citations