CHEBI:46958 - vanillylamine

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ChEBI Name vanillylamine
ChEBI ID CHEBI:46958
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H11NO2
Net Charge 0
Average Mass 153.17848
Monoisotopic Mass 153.07898
InChI InChI=1S/C8H11NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5,9H2,1H3
InChIKey WRPWWVNUCXQDQV-UHFFFAOYSA-N
SMILES COc1cc(CN)ccc1O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 vanillylamine(1+) (CHEBI:149596) is conjugate acid of vanillylamine (CHEBI:46958)
IUPAC Name
4-(aminomethyl)-2-methoxyphenol
Synonym Source
4-hydroxy-3-methoxybenzylamine ChEBI
Manual Xref Database
C16666 KEGG COMPOUND
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Registry Numbers Types Sources
1196-92-5 CAS Registry Number KEGG COMPOUND
1196-92-5 CAS Registry Number ChemIDplus
1618874 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
22921003 PubMed citation Europe PMC
IND44428189 Agricola citation Europe PMC
IND44785250 Agricola citation Europe PMC
IND81023023 Agricola citation Europe PMC
Last Modified
13 May 2020