Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:46958 - vanillylamine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
vanillylamine
ChEBI ID
CHEBI:46958
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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 (Br
o
nsted 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
View more database links
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
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 мая 2020