CHEBI:46958 - vanillylamine

ChEBI IDCHEBI:46958
ChEBI Namevanillylamine
Stars
Last Modified13 May 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H11NO2
Net Charge0
Average Mass153.181
Monoisotopic Mass153.07898
SMILESCOc1cc(CN)ccc1O
InChIInChI=1S/C8H11NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5,9H2,1H3
InChIKeyWRPWWVNUCXQDQV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
vanillylamine (CHEBI:46958) has functional parent vanillyl alcohol (CHEBI:18353)
vanillylamine (CHEBI:46958) is a aralkylamino compound (CHEBI:64365)
vanillylamine (CHEBI:46958) is conjugate base of vanillylamine(1+) (CHEBI:149596)
Incoming Relation(s)
vanillylamine(1+) (CHEBI:149596) is conjugate acid of vanillylamine (CHEBI:46958)
IUPAC Name 
4-(aminomethyl)-2-methoxyphenol
Synonym  Source
4-hydroxy-3-methoxybenzylamineChEBI
Manual XrefsDatabases
C16666KEGG COMPOUND
Registry NumbersSources
Beilstein:1618874Beilstein
CAS:1196-92-5KEGG COMPOUND
CAS:1196-92-5ChemIDplus
Citations