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(2-Chloroethyl)trimethylammonium chloride - analytical standard, high purity , CAS No.999-81-5
Basic Description
Synonyms
Chlormequat chloride | 999-81-5 | 2-Chloro-N,N,N-trimethylethanaminium chloride | Chlorocholine chloride | (2-Chloroethyl)trimethylammonium chloride | CYCOCEL | Cycogan | Antywylegacz | Stabilan | Cyocel | Retacel | Cycogan extra | Cyclocel | Chlorcholine chloride | Choline dichlori
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
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
Organopnictogen compounds Organochlorides Organic chloride salts Hydrocarbon derivatives Amines Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl chloride - 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.
External Descriptors
Not available
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-chloroethyl(trimethyl)azanium;chloride
INCHI
InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
InChIKey
UHZZMRAGKVHANO-UHFFFAOYSA-M
Smiles
C[N+](C)(C)CCCl.[Cl-]
Isomeric SMILES
C[N+](C)(C)CCCl.[Cl-]
WGK Germany
3
RTECS
BP5250000
PubChem CID
13836
UN Number
2811
Packing Group
I
Molecular Weight
158.07
Beilstein
3563994
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic
Melt Point(°C)
239-243°C
Molecular Weight
158.070 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
157.043 Da
Monoisotopic Mass
157.043 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
46.500
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
Citations of This Product
1.
Kai-Ni Wei, Ru-Pei Yang, Shu-Zhen Huang, Zhu Tao, Qing Tang, Ying Huang.
(2023)
Supramolecular Fluorescence Sensor Array Based on Cucurbit[8]uril Complexes Used for the Detection of Multiplex Quaternary Ammonium Pesticides. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,
71
(24):
(9549–9557).
2.
Shizhuang Weng, Le Tang, Mengqing Qiu, Jinghong Wang, Yehang Wu, Rui Zhu, Cong Wang, Pan Li, Wen Sha, Dong Liang.
(2023)
Surface-enhanced Raman spectroscopy charged probes under inverted superhydrophobic platform for detection of agricultural chemicals residues in rice combined with lightweight deep learning network. ANALYTICA CHIMICA ACTA,
1262
(341264).
3.
Shuiping Tang, Yong Huang, Shulin Zhao, Kun Hu.
(2023)
Surface molecularly imprinted-based matrix-assisted laser desorption/ionization time-of-flight mass spectrometry for highly selective and sensitive direct analysis of paraquat in complicated samples. TALANTA,
258
(124423).
4.
Yuanxia Lv, Xiaohuan Qin, Kun Hu, Fanggui Ye, Shulin Zhao.
(2022)
Microporous hydrogen-bond organic frameworks-based SALDI-TOF MS for simultaneous enrichment and high sensitivity detection of paraquat and chlormequat. SENSORS AND ACTUATORS B-CHEMICAL,
353
(131132).
5.
Qiang Fu, Jun Tang, Meng Cui, Zhong Zheng, Zhiqiang Liu, Shuying Liu.
(2015)
Development of ESI-MS-based continuous enzymatic assay for real-time monitoring of enzymatic reactions of acetylcholinesterase. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES,
990
(169).
6.
Chengping Kang, Qianqian Xiao, Xiaoxia Wang, Wanqian Guo, Haoran Zhang, Lilan Yuan, Zhe Zhao, Weidong Hao.
(2024)
Chlormequat chloride induces hepatic steatosis by promoting mTOR/SREBP1 mediated lipogenesis via AMPK inhibition. FOOD AND CHEMICAL TOXICOLOGY,
(114790).
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6 Citations
B23031154