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CHEBI:40538 - benzylamine
| Formula | C7H9N |
| Net Charge | 0 |
| Average Mass | 107.156 |
| Monoisotopic Mass | 107.07350 |
| SMILES | NCc1ccccc1 |
| InChI | InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2 |
| InChIKey | WGQKYBSKWIADBV-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | 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. 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. |
| 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 |
|---|---|
| BENZYLAMINE | PDBeChem |
| Benzenemethanamine | KEGG COMPOUND |
| (aminomethyl)benzene | ChemIDplus |
| (phenylmethyl)amine | ChemIDplus |
| monobenzylamine | ChemIDplus |
| α-aminotoluene | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| ABN | PDBeChem |
| C15562 | KEGG COMPOUND |
| DB02464 | DrugBank |
| BENZYLAMINE | MetaCyc |
| HMDB0033871 | HMDB |
| Benzylamine | Wikipedia |
| LSM-3700 | LINCS |
| Citations |
|---|