Mepiquat chloride - analytical standard , CAS No.24307-26-4

CAS: 24307-26-4 Cat. No.: M114650 Formule: C₇H₁₆ClN Poids moléculaire: 149.66 Numéro CE: 246-147-6

GRADE & PURITY Analytical standard

Synonyms

Tox21_300773 | BAS 08301W | DTXCID704170 | BAS-083 | Caswell No. 380AB | EPA Pesticide Chemical Code 109101 | UNII-X0S7YUN0EP | MEPIQUAT CHLORIDE [HSDB] | 3-(3,4-DIMETHOXY-PHENYL)-3-OXO-PROPIONICACIDETHYLESTER | D4016 | Mepiquat chloride | Piperidinium, 1

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Tox21_300773 | BAS 08301W | DTXCID704170 | BAS-083 | Caswell No. 380AB | EPA Pesticide Chemical Code 109101 | UNII-X0S7YUN0EP | MEPIQUAT CHLORIDE [HSDB] | 3-(3,4-DIMETHOXY-PHENYL)-3-OXO-PROPIONICACIDETHYLESTER | D4016 | Mepiquat chloride | Piperidinium, 1

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Noms et identifiants

• Pubchem Sid: 528774633
• Sourires canoniques: C[N+]1(CCCCC1)C.[Cl-]
• IUPAC Name: 1,1-dimethylpiperidin-1-ium;chloride
• InChIKey: VHOVSQVSAAQANU-UHFFFAOYSA-M
• INCHI: 1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1
• Isomères SMILES: C[N+]1(CCCCC1)C.[Cl-]
• CAS alternatif: 15302-91-7
• Poids moléculaire: 149.66
• Reaxy-Rn: 3914089
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3914089&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Tetraalkylammonium salts Azacyclic compounds Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic heteromonocyclic compounds
• 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
• Description: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• External Descriptors: Pesticides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): >350°C
• Poids moléculaire: 149.660 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 149.097 Da
• Monoisotopic Mass: 149.097 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 68.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Références

1. Guofeng Chang, Hui Xue, Jichao Ji, Li Wang, Xiangzhen Zhu, Kaixin Zhang, Dongyang Li, Xueke Gao, Lin Niu, Mengxue Gao, Junyu Luo, Jinjie Cui.  (2023)  Risk assessment of predatory lady beetle Propylea japonica's multi-generational exposure to three non-insecticidal agrochemicals.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:37156379] [10.1016/j.scitotenv.2023.163931]

2. Xue Ma, Mengmeng Fu, Kai Hu, Li Gao, Chenchen Song, Shusheng Zhang, Renyong Zhao, Wenjie Zhao.  (2025)  Sustainable One-Pot Synthesis of Dual-Mechanism Magnetic HCPs for Classified Extraction of Trace PAHs and Quaternary Ammonium Pesticides in Environmental Waters.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:40967004] [10.1016/j.jhazmat.2025.139820]