Chlormequat
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Basic Info
| Common Name | Chlormequat(F06140) |
| 2D Structure | |
| FRCD ID | F06140 |
| CAS Number | 7003-89-6 |
| PubChem CID | 13837 |
| Formula | C5H13ClN+ |
| IUPAC Name | 2-chloroethyl(trimethyl)azanium |
| InChI Key | JUZXDNPBRPUIOR-UHFFFAOYSA-N |
| InChI | InChI=1S/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1 |
| Canonical SMILES | C[N+](C)(C)CCCl |
| Isomeric SMILES | C[N+](C)(C)CCCl |
| Synonyms |
(2-CHLOROETHYL)TRIMETHYLAMMONIUM
Chlormequat
UNII-8SUZ1123XX
7003-89-6
2-Chloro-N,N,N-trimethylethanaminium
8SUZ1123XX
CHEMBL341956
CHEBI:81850
Chlorocholine chloride
CHEMBL118539
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Quaternary ammonium salts |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetraalkylammonium salts |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl chloride - Organic cation - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 122.616 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Complexity | 46.5 |
| Monoisotopic Mass | 122.074 |
| Exact Mass | 122.074 |
| XLogP | 0.9 |
| Formal Charge | 1 |
| Heavy Atom Count | 7 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Liver | 1014030 | European Union | 0.15 | 03/11/2017 | |
| Chestnut | Japan | 0.1ppm | |||
| Ginkgo Nut | Japan | 0.1ppm | |||
| Milk & Dairy Produce | Britain | 0.05mg/kg | |||
| Meat And Meat Products | Britain | 0.05mg/kg | |||
| Cattle Liver | Britain | 0.1mg/kg | |||
| Cattle Kidney | Britain | 0. 2mg/kg | |||
| Chicken Liver | Britain | 0.05mg/kg | |||
| Other Cereals Do Not Include Rice | Britain | 0.05mg/kg | |||
| Rice | Britain | 0.05mg/kg | |||
| Millet | Britain | 0.05mg/kg | |||
| Buckwheat | Britain | 0.05mg/kg | |||
| Maize | Britain | 0.05mg/kg | |||
| Triticale | Britain | 2mg/kg | |||
| Oats | Britain | 5mg/kg | |||
| Sorghum | Britain | 0.05mg/kg | |||
| Rye | Britain | 2mg/kg | |||
| Wheat | Britain | 2mg/kg | |||
| Hop | Britain | 0.1mg/kg | |||
| Tea | Britain | 0.1mg/kg |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Modified QuEChERS method for 24 plant growth regulators in grapes using LC-MS/MS. | J Food Drug Anal | 2018 Apr | 29567233 |
| Multi-residue analysis of pesticides, plant hormones, veterinary drugs and mycotoxins using HILIC chromatography - MS/MS in various food matrices. | Anal Chim Acta | 2016 Oct 26 | 27720116 |