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ChEBI
> Main
CHEBI:40538 - benzylamine
Main
ChEBI Ontology
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ChEBI Name
benzylamine
ChEBI ID
CHEBI:40538
Definition
A primary amine compound having benzyl as the
N
-substituent. It has been isolated from
Moringa oleifera
(horseradish tree).
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H9N
Net Charge
0
Average Mass
107.15310
Monoisotopic Mass
107.07350
InChI
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKey
WGQKYBSKWIADBV-UHFFFAOYSA-N
SMILES
NCc1ccccc1
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
)
Biological Role
(s):
EC 3.5.5.1 (nitrilase) inhibitor
An EC 3.5.5.* (hydrolase acting on C-N bonds in nitriles) inhibitor that interferes with the action of nitrilase (EC 3.5.5.1).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
benzylamine (
CHEBI:40538
)
has role
allergen (
CHEBI:50904
)
benzylamine (
CHEBI:40538
)
has role
EC 3.5.5.1 (nitrilase) inhibitor (
CHEBI:77118
)
benzylamine (
CHEBI:40538
)
has role
plant metabolite (
CHEBI:76924
)
benzylamine (
CHEBI:40538
)
is a
aralkylamine (
CHEBI:18000
)
benzylamine (
CHEBI:40538
)
is a
primary amine (
CHEBI:32877
)
benzylamine (
CHEBI:40538
)
is conjugate base of
benzylaminium (
CHEBI:225238
)
Incoming
2-(aminomethyl)-3,4,6-trichlorophenol (
CHEBI:75337
)
has functional parent
benzylamine (
CHEBI:40538
)
N
-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide (
CHEBI:138203
)
has functional parent
benzylamine (
CHEBI:40538
)
N
-benzylhexadecanamide (
CHEBI:140849
)
has functional parent
benzylamine (
CHEBI:40538
)
benzylpenicilloyl-benzylamine (
CHEBI:42719
)
has functional parent
benzylamine (
CHEBI:40538
)
benzylaminium (
CHEBI:225238
)
is conjugate acid of
benzylamine (
CHEBI:40538
)
IUPAC Name
1-phenylmethanamine
Synonyms
Sources
(aminomethyl)benzene
ChemIDplus
(phenylmethyl)amine
ChemIDplus
α-aminotoluene
NIST Chemistry WebBook
Benzenemethanamine
KEGG COMPOUND
BENZYLAMINE
PDBeChem
monobenzylamine
ChemIDplus
moringine
ChEBI
N
-benzylamine
NIST Chemistry WebBook
ω-aminotoluene
NIST Chemistry WebBook
Manual Xrefs
Databases
ABN
PDBeChem
Benzylamine
Wikipedia
BENZYLAMINE
MetaCyc
C15562
KEGG COMPOUND
DB02464
DrugBank
HMDB0033871
HMDB
LSM-3700
LINCS
View more database links
Registry Numbers
Types
Sources
100-46-9
CAS Registry Number
KEGG COMPOUND
100-46-9
CAS Registry Number
NIST Chemistry WebBook
100-46-9
CAS Registry Number
ChemIDplus
49783
Gmelin Registry Number
Gmelin
741984
Reaxys Registry Number
Reaxys
741984
Beilstein Registry Number
Beilstein
Citations
Types
Sources
11305323
PubMed citation
Europe PMC
12569987
PubMed citation
Europe PMC
1388821
PubMed citation
Europe PMC
17435633
PubMed citation
Europe PMC
24129580
PubMed citation
Europe PMC
Last Modified
08 March 2019