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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1-(1',3'-benzodioxol-5'-yl)-2-butanamine
ChEBI ID CHEBI:190948
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H15NO2
Net Charge 0
Average Mass 193.246
Monoisotopic Mass 193.11028
InChI InChI=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
InChIKey VHMRXGAIDDCGDU-UHFFFAOYSA-N
SMILES O1C=2C=C(CC(N)CC)C=CC2OC1
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
114963 ChemSpider
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Registry Number Type Source
107447-03-0 CAS Registry Number ChemIDplus