CHEBI:40538 - benzylamine

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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 (Bronsted 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.
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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 Waiting for 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