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CHEBI:30264 - simeton
| Formula | C8H15N5O |
| Net Charge | 0 |
| Average Mass | 197.242 |
| Monoisotopic Mass | 197.12766 |
| SMILES | CCNc1nc(NCC)nc(OC)n1 |
| InChI | InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13) |
| InChIKey | HKAMKLBXTLTVCN-UHFFFAOYSA-N |
| Roles Classification |
|---|
| 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 |
|---|
| Outgoing Relation(s) |
| simeton (CHEBI:30264) has functional parent 6-methoxy-1,3,5-triazine-2,4-diamine (CHEBI:38930) |
| simeton (CHEBI:30264) has role environmental contaminant (CHEBI:78298) |
| simeton (CHEBI:30264) has role herbicide (CHEBI:24527) |
| simeton (CHEBI:30264) has role xenobiotic (CHEBI:35703) |
| simeton (CHEBI:30264) is a diamino-1,3,5-triazine (CHEBI:38170) |
| simeton (CHEBI:30264) is a methoxy-1,3,5-triazine (CHEBI:38177) |
| IUPAC Name |
|---|
| N,N'-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine |
| Synonyms | Source |
|---|---|
| methoxy simazine | ChemIDplus |
| 2-methoxy-4,6-bis(ethylamino)-1,3,5-triazine | NIST Chemistry WebBook |
| simeton | ChemIDplus |
| 2,4-bis(ethylamino)-6-methoxy-s-triazine | NIST Chemistry WebBook |
| 4,6-bis(ethylamino)-2-methoxy-s-triazine | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| simeton | Alan Wood's Pesticides |
| WO2008062557 | Patent |
| Citations |
|---|