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CHEBI:91110 - o-aminoacetophenone

ChEBI IDCHEBI:91110
ChEBI Nameo-aminoacetophenone
Stars
ASCII Nameo-aminoacetophenone
DefinitionAn aromatic ketone that is acetophenone in which one of the ortho hydrogens of the phenyl group has been replaced by an amino group.
Last Modified14 December 2016
Submitterkalra
DownloadsMolfile
FormulaC8H9NO
Net Charge0
Average Mass135.166
Monoisotopic Mass135.06841
SMILESCC(=O)c1ccccc1N
InChIInChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
InChIKeyGTDQGKWDWVUKTI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas aeruginosa (ncbitaxon:287) - PubMed (25043228)
Sus scrofa domesticus (ncbitaxon:9825) - PubMed (26804051) skatole metabolite Strain: Pietrain × Baden-Württemberg hybrid
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
o-aminoacetophenone (CHEBI:91110) has role bacterial metabolite (CHEBI:76969)
o-aminoacetophenone (CHEBI:91110) is a acetophenones (CHEBI:22187)
o-aminoacetophenone (CHEBI:91110) is a substituted aniline (CHEBI:48975)
IUPAC Name 
1-(2-aminophenyl)ethanone
Synonyms  Source
1-acetyl-2-aminobenzeneChemIDplus
1-acetyl-2-aminobenzeneNIST Chemistry WebBook
2-acetylanilineNIST Chemistry WebBook
2-acetylphenylamineNIST Chemistry WebBook
2-aminoacetophenoneChemIDplus
2'-aminoacetophenoneNIST Chemistry WebBook
Registry NumbersSources
Reaxys:386122Reaxys
CAS:551-93-9ChemIDplus
CAS:551-93-9NIST Chemistry WebBook
Citations