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CHEBI:43405 - para-isopropylaniline

ChEBI IDCHEBI:43405
ChEBI Namepara-isopropylaniline
Stars
ASCII Namepara-isopropylaniline
DefinitionA substituted aniline carrying an isopropyl group at position 4. It is a metabolite of isoproturon.
Last Modified14 November 2014
DownloadsMolfile
FormulaC9H13N
Net Charge0
Average Mass135.210
Monoisotopic Mass135.10480
SMILESCC(C)c1ccc(N)cc1
InChIInChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
InChIKeyLRTFPLFDLJYEKT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
para-isopropylaniline (CHEBI:43405) has role bacterial xenobiotic metabolite (CHEBI:76976)
para-isopropylaniline (CHEBI:43405) has role marine xenobiotic metabolite (CHEBI:83399)
para-isopropylaniline (CHEBI:43405) is a substituted aniline (CHEBI:48975)
IUPAC Name 
4-(propan-2-yl)aniline
Synonyms  Source
4-(1-methylethyl)anilineChEBI
CumidineChemIDplus
p-CumidineChemIDplus
4-Amino-1-isopropylbenzeneChemIDplus
4-AminocumeneChemIDplus
Manual XrefsDatabases
ISOPDBeChem
Registry NumbersSources
Reaxys:1930544Reaxys
CAS:99-88-7ChemIDplus
Citations