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CHEBI:27496 - simazine
| Formula | C7H12ClN5 |
| Net Charge | 0 |
| Average Mass | 201.661 |
| Monoisotopic Mass | 201.07812 |
| SMILES | CCNc1nc(Cl)nc(NCC)n1 |
| InChI | InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13) |
| InChIKey | ODCWYMIRDDJXKW-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| Application: | herbicide A substance used to destroy plant pests. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| simazine (CHEBI:27496) has role environmental contaminant (CHEBI:78298) |
| simazine (CHEBI:27496) has role herbicide (CHEBI:24527) |
| simazine (CHEBI:27496) has role xenobiotic (CHEBI:35703) |
| simazine (CHEBI:27496) is a chloro-1,3,5-triazine (CHEBI:38168) |
| simazine (CHEBI:27496) is a diamino-1,3,5-triazine (CHEBI:38170) |
| IUPAC Name |
|---|
| 6-chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine |
| Synonyms | Source |
|---|---|
| Simazine | KEGG COMPOUND |
| 6-chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine | NIST Chemistry WebBook |
| 2,4-bis(ethylamino)-6-chloro-s-triazine | ChemIDplus |
| 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine | ChemIDplus |
| 2,4-bis(ethylamino)-6-chloro-1,3,5-triazine | NIST Chemistry WebBook |
| 2-chloro-4,6-bis(ethylamino)-1,3,5-triazine | NIST Chemistry WebBook |
| Citations |
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