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CHEBI:190948 - 1-(1',3'-benzodioxol-5'-yl)-2-butanamine

ChEBI IDCHEBI:190948
ChEBI Name1-(1',3'-benzodioxol-5'-yl)-2-butanamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H15NO2
Net Charge0
Average Mass193.246
Monoisotopic Mass193.11028
SMILESCCC(N)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C11H15NO2/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h3-4,6,9H,2,5,7,12H2,1H3
InChIKeyVHMRXGAIDDCGDU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
1-(1',3'-benzodioxol-5'-yl)-2-butanamine (CHEBI:190948) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
1-(1,3-benzodioxol-5-yl)butan-2-amine
Manual XrefsDatabases
114963ChemSpider
Registry NumbersSources
CAS:107447-03-0ChemIDplus