CHEBI:91110 - o-aminoacetophenone

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ChEBI Name o-aminoacetophenone
ChEBI ID CHEBI:91110
ChEBI ASCII Name o-aminoacetophenone
Definition An aromatic ketone that is acetophenone in which one of the ortho hydrogens of the phenyl group has been replaced by an amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter kalra
Supplier Information
Download Molfile XML SDF
Formula C8H9NO
Net Charge 0
Average Mass 135.163
Monoisotopic Mass 135.068
InChI InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
InChIKey GTDQGKWDWVUKTI-UHFFFAOYSA-N
SMILES C=1C(=C(C=CC1)N)C(C)=O
Metabolite of Species Details
Pseudomonas aeruginosa (NCBI:txid287) See: PubMed
Sus scrofa domesticus (NCBI:txid9825) skatole metabolite of strain Pietrain × Baden-Württemberg hybrid See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1-acetyl-2-aminobenzene ChemIDplus
1-acetyl-2-aminobenzene NIST Chemistry WebBook
2'-aminoacetophenone NIST Chemistry WebBook
2-acetylaniline NIST Chemistry WebBook
2-acetylphenylamine NIST Chemistry WebBook
2-aminoacetophenone ChemIDplus
5 kaal ChEBI
o-acetylaniline NIST Chemistry WebBook
o-aminoacetylbenzene NIST Chemistry WebBook
o-aminophenyl methyl ketone NIST Chemistry WebBook
ortho-aminoacetophenone NIST Chemistry WebBook
Registry Numbers Types Sources
386122 Reaxys Registry Number Reaxys
551-93-9 CAS Registry Number ChemIDplus
551-93-9 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
110829 PubMed citation Europe PMC
11946045 PubMed citation Europe PMC
21054900 PubMed citation Europe PMC
25043228 PubMed citation Europe PMC
25047450 PubMed citation Europe PMC
25488497 PubMed citation Europe PMC
25614099 PubMed citation Europe PMC
26777086 PubMed citation Europe PMC
26804051 PubMed citation Europe PMC
26935176 PubMed citation Europe PMC
8920148 PubMed citation Europe PMC
Last Modified
14 December 2016