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CHEBI:149596 - vanillylamine(1+)

Default Structure
ChEBI IDCHEBI:149596
ChEBI Namevanillylamine(1+)
Stars
DefinitionAn arylmethylammonium that is the conjugate acid of vanillylamine obtained from the protonation of the primary amino group. Major species at pH 7.3.
Last Modified13 May 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC8H12NO2
Net Charge+1
Average Mass154.189
Monoisotopic Mass154.08626
SMILESCOc1cc(C[NH3+])ccc1O
InChIInChI=1S/C8H11NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5,9H2,1H3/p+1
InChIKeyWRPWWVNUCXQDQV-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
vanillylamine(1+) (CHEBI:149596) is a arylmethylammonium (CHEBI:87910)
vanillylamine(1+) (CHEBI:149596) is conjugate acid of vanillylamine (CHEBI:46958)
Incoming Relation(s)
vanillylamine (CHEBI:46958) is conjugate base of vanillylamine(1+) (CHEBI:149596)
IUPAC Name 
(4-hydroxy-3-methoxyphenyl)methanaminium
UniProt Name  Source
vanillylamineUniProt
Manual XrefsDatabases
CPD-9327MetaCyc