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
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
Biological Role(s): EC 3.5.5.1 (nitrilase) inhhibitor
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.
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ChEBI Ontology
Outgoing benzylamine (CHEBI:40538) has role EC 3.5.5.1 (nitrilase) inhhibitor (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)
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
Database Links Databases
ABN PDBeChem
Benzylamine Wikipedia
BENZYLAMINE MetaCyc
C15562 KEGG COMPOUND
DB02464 DrugBank
HMDB33871 HMDB
View more database links
Registry Numbers Types Sources
100-46-9 CAS Registry Number NIST Chemistry WebBook
100-46-9 CAS Registry Number ChemIDplus
49783 Gmelin Registry Number Gmelin
741984 Beilstein Registry Number Beilstein
741984 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11305323 PubMed citation CiteXplore
12569987 PubMed citation CiteXplore
1388821 PubMed citation CiteXplore
17435633 PubMed citation CiteXplore
24129580 PubMed citation CiteXplore
Last Modified
19 May 2014