Structure via PubChem · Public domain (PubChem)
simazine
Sign in to saveAlso known as 2-chloro-4,6-bis(ethylamino)-s-triazine, 2-chloro-4,6-bis(ethylamino)-1,3,5-triazine, 2,4-bis(ethylamino)-6-chloro-1,3,5-triazine, 6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine, 2,4-bis(ethylamino)-6-chloro-s-triazine, 6-chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine
chemische verbinding
Chemical data
- Formula
- C7H12ClN5
- Molecular weight
- 201.66 g/mol
- IUPAC name
- 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
- SMILES
- CCNC1=NC(=NC(=N1)Cl)NCC
- InChIKey
- ODCWYMIRDDJXKW-UHFFFAOYSA-N
- XLogP
- 2.2
- Polar surface area
- 62.7 Ų
- H-bond donors
- 2
- H-bond acceptors
- 5
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Research
1,039 papers- Simazine.IARC monographs on the evaluation of carcinogenic risks to humans · 1991
- Simazine.IARC monographs on the evaluation of carcinogenic risks to humans · 1999
- Toxicity endpoint selections for a simazine risk assessment.Birth defects research. Part B, Developmental and reproductive toxicology · 2014
- Chemistry and fate of simazine.Reviews of environmental contamination and toxicology · 2007
- Estimating simazine-treated area in watersheds based on annual stream loads.Journal of environmental quality · 2021
via PubMed
Wikidata facts
Show 5 more facts
- Commons category
- Simazine
- chemical formula
- C₇H₁₂ClN₅
- canonical SMILES
- CCNC1=NC(=NC(=N1)Cl)NCC
- isomeric SMILES
- CC/N=C\1/N/C(=N\CC)/N=C(N1)Cl
- melting point
- 228
via Wikidata · CC0
Article · Nederlands
Simazine of simazin (ISO-naam) is een herbicide met als brutoformule C7H12ClN5. Het behoort tot de triazines waartoe ook atrazine en cyanazine behoren. Vroeger werd simazine veel gebruikt als totaalherbicide, maar het gebruik ervan is sedert 2000 streng gereglementeerd omwille van het feit dat het veelvuldig in (drink)water werd aangetroffen in concentraties boven de wettelijke norm.
Abstract from DBpedia / Wikipedia · CC BY-SA