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CHEBI
Chemical Entities of Biological Interest Ontology
(CHEBI)
OBO
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Last submission date May 11, 2023
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ID
http://purl.obolibrary.org/obo/CHEBI_91110
http://purl.obolibrary.org/obo/CHEBI_91110
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_91110
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Preferred name
o-aminoacetophenone
Synonyms
1-(2-aminophenyl)ethanone
1-acetyl-2-aminobenzene
2'-aminoacetophenone
2-acetylaniline
2-acetylphenylamine
2-aminoacetophenone
5 kaal
o-acetylaniline
o-aminoacetylbenzene
o-aminophenyl methyl ketone
ortho-aminoacetophenone
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Definitions
An aromatic ketone that is acetophenone in which one of the ortho hydrogens of the phenyl group has been replaced by an amino group.
Raw data
rdf:type
http://www.w3.org/2002/07/owl#Class
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rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_22187
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http://purl.obolibrary.org/obo/CHEBI_48975
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rdfs:label
o-aminoacetophenone
obo_purl:charge
0
obo_purl:formula
C8H9NO
obo_purl:inchi
InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
obo_purl:inchikey
GTDQGKWDWVUKTI-UHFFFAOYSA-N
obo_purl:mass
135.163
obo_purl:monoisotopicmass
135.06841
obo_purl:smiles
C=1C(=C(C=CC1)N)C(C)=O
obo_purl:IAO_0000115
An aromatic ketone that is acetophenone in which one of the ortho hydrogens of the phenyl group has been replaced by an amino group.
oboinowl_gen:hasExactSynonym
1-(2-aminophenyl)ethanone
oboinowl_gen:hasRelatedSynonym
1-acetyl-2-aminobenzene
2'-aminoacetophenone
2-acetylaniline
2-acetylphenylamine
2-aminoacetophenone
5 kaal
o-acetylaniline
o-aminoacetylbenzene
o-aminophenyl methyl ketone
ortho-aminoacetophenone
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oboinowl_gen:hasDbXref
CAS:551-93-9
PMID:110829
PMID:11946045
PMID:21054900
PMID:25043228
PMID:25047450
PMID:25488497
PMID:25614099
PMID:26777086
PMID:26804051
PMID:26935176
PMID:8920148
Reaxys:386122
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oboinowl_gen:hasOBONamespace
chebi_ontology
oboinowl_gen:id
CHEBI:91110
skos:notation
CHEBI:91110
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
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obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_76969
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