Chemical Component Summary | |
|---|---|
| Name | ANILINE |
| Identifiers | aniline |
| Formula | C6 H7 N |
| Molecular Weight | 93.126 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc(cc1)N |
| InChI | InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2 |
| InChIKey | PAYRUJLWNCNPSJ-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 14 |
| Chiral Atom Count | 0 |
| Bond Count | 14 |
| Aromatic Bond Count | 6 |
Drug Info: DrugBank
| DrugBank ID | DB06728? |
|---|---|
| Name | Aniline |
| Groups | experimental |
| Description | Aniline, phenylamine or aminobenzene is an organic compound with the formula C6H5NH2. Consisting of an amine attached to a benzene ring, aniline is the prototypical aromatic amine. Being a precursor to many industrial chemicals, its main use is in the manufacture of precursors to polyurethane. Like most volatile amines, it possesses the somewhat unpleasant odour of rotten fish. Aniline is colorless, but it slowly oxidizes and resinifies in air, giving a red-brown tint to aged samples. |
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| Categories |
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| CAS number | 62-53-3 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Kallikrein-1 | MWFLVLCLALSLGGTGAAPPIQSRIVGGWECEQHSQPWQAALYHFSTFQC... | unknown | |
| Serum albumin | MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIA... | unknown | |
| Cytochrome P450 2E1 | MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLEL... | unknown | substrate |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 6115 |
| ChEMBL | CHEMBL538 |
| ChEBI | CHEBI:17296 |
| CCDC/CSD | CASMAL, BERSUP, BAZGOY01, BAZGOY05, BAZGOY, ANLINB, ANILAC10, ANLPCP, ANSBCL10, ANLINC |
