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CHEBI:40538 - benzylamine

Default Structure
ChEBI IDCHEBI:40538
ChEBI Namebenzylamine
Stars
DefinitionA primary amine compound having benzyl as the N-substituent. It has been isolated from Moringa oleifera (horseradish tree).
Last Modified8 March 2019
DownloadsMolfile
FormulaC7H9N
Net Charge0
Average Mass107.156
Monoisotopic Mass107.07350
SMILESNCc1ccccc1
InChIInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKeyWGQKYBSKWIADBV-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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)
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  Source
(aminomethyl)benzeneChemIDplus
BenzenemethanamineKEGG COMPOUND
BENZYLAMINEPDBeChem
N-benzylamineNIST Chemistry WebBook
monobenzylamineChemIDplus
moringineChEBI
Manual XrefsDatabases
ABNPDBeChem
BenzylamineWikipedia
BENZYLAMINEMetaCyc
C15562KEGG COMPOUND
DB02464DrugBank
HMDB0033871HMDB
LSM-3700LINCS
Registry NumbersSources
Gmelin:49783Gmelin
Reaxys:741984Reaxys
CAS:100-46-9KEGG COMPOUND
CAS:100-46-9NIST Chemistry WebBook
CAS:100-46-9ChemIDplus
Citations