| Record Information |
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| Version | 1.0 |
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| Creation Date | 2013-04-25 07:56:52 UTC |
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| Update Date | 2016-11-09 01:08:59 UTC |
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| Accession Number | CHEM002835 |
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| Identification |
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| Common Name | Mepiquat chloride |
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| Class | Small Molecule |
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| Description | Mepiquat chloride is a plant growth regulator used exclusively on cotton. It is intended to increase yield by inhibiting gibberellic acid synthesis. Mepiquat chloride was first registered as a pesticide in the U.S. in 1980. In studies using laboratory animals, mepiquat chloride generally has been shown to be of low acute toxicity. Testing has also indicated that mepiquat chloride is of low chronic toxicity and that it is negative for mutagenic effects. |
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| Contaminant Sources | - HPV EPA Chemicals
- T3DB toxins
- ToxCast & Tox21 Chemicals
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| Contaminant Type | - Organic Compound
- Pesticide
- Plant Growth Regulator
- Synthetic Compound
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| BAS 083 | ChEBI | | BAS 08301W | ChEBI | | BAS 08305 W | ChEBI | | BAS 08306 W | ChEBI | | BAS 08307 W | ChEBI | | BAS 083W | ChEBI | | BAS-083 | ChEBI | | BAS-85559X | ChEBI | | N,N-Dimethyl-piperidinium chloride | ChEBI | | Pix ultra | ChEBI | | 1,1-Dimethylpiperidinium | MeSH | | Mepiquat | MeSH | | 1,1-Dimethylpipercl | MeSH | | 1,1-Dimethylpiperidinium chloride | MeSH |
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| Chemical Formula | C7H16ClN |
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| Average Molecular Mass | 149.662 g/mol |
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| Monoisotopic Mass | 149.097 g/mol |
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| CAS Registry Number | 24307-26-4 |
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| IUPAC Name | 1,1-dimethylpiperidin-1-ium chloride |
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| Traditional Name | 1,1-dimethylpiperidin-1-ium chloride |
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| SMILES | [Cl-].C[N+]1(C)CCCCC1 |
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| InChI Identifier | InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1 |
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| InChI Key | VHOVSQVSAAQANU-UHFFFAOYSA-M |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Piperidines |
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| Sub Class | Not Available |
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| Direct Parent | Piperidines |
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| Alternative Parents | |
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| Substituents | - Piperidine
- Tetraalkylammonium salt
- Quaternary ammonium salt
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organic chloride salt
- Organic salt
- Organonitrogen compound
- Amine
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Exogenous |
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| Cellular Locations | |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Solid |
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| Appearance | White powder. |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0900000000-d464196aef4f4f0e608b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-1900000000-830becb79c6abd9d6b46 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9300000000-666b9ecb2c5ec8820364 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0900000000-ba4a65bc9700b21579f1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-0900000000-538066337d7b933c1bb1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-053r-3900000000-06a46a189c832c0b1689 | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | No indication of carcinogenicity to humans (not listed by IARC). |
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| Uses/Sources | This is a man-made compound that is used as a pesticide. |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | 81772 |
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| PubChem Compound ID | 62781 |
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| Kegg Compound ID | C18475 |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | |
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