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(2-Hydroxyethyl)trimethylammonium Bromide - 98%, high purity , CAS No.1927-06-6
Basic Description
Synonyms
AKOS015833071 | S9SDD93U5U | CXC75P7WK9 | NSC 293906 | F8881-3843 | Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, bromide | TEDTP | Choline-methyl-13C bromide | NCGC00093659-01 | CHOLINEBROMIDE | Alimemazine S,S-dioxide | CCG-221484 | Choline Bromide | (2-hyd
Specifications & Purity
≥98%
Storage Temp
Room temperature,Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Quaternary ammonium salts
Intermediate Tree Nodes
Not available
Direct Parent
Cholines
Alternative Parents
Tetraalkylammonium salts 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organic zwitterions Organic bromide salts Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Choline - Tetraalkylammonium salt - 1,2-aminoalcohol - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Amine - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.
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
Pubchem Sid
504754853
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504754853
IUPAC Name
2-hydroxyethyl(trimethyl)azanium;bromide
INCHI
InChI=1S/C5H14NO.BrH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKey
JJCWKVUUIFLXNZ-UHFFFAOYSA-M
Smiles
C[N+](C)(C)CCO.[Br-]
Isomeric SMILES
C[N+](C)(C)CCO.[Br-]
Molecular Weight
184.08
Reaxy-Rn
3912964
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3912964&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Melt Point(°C)
298 °C
Molecular Weight
184.070 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
183.026 Da
Monoisotopic Mass
183.026 Da
Topological Polar Surface Area
20.200 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.
Xingyilong Zhang, Houfang Lu, Man Zhang, Hui Han, Rubo Tian, Kejing Wu, Yingying Liu, Yingming Zhu, Bin Liang.
(2023)
Low-Temperature Production of 5-Hydroxymethylfurfural from Fructose Using Choline Chloride–Ethylene Glycol–Maleic Acid Ternary Deep Eutectic Solvents.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,
62
(15):
(6093–6102).
2.
Liang He, Wenwen Zhang, Yufan Yang, Jingjing Ma, Fusheng Liu, Mengshuai Liu.
(2021)
Novel biomass-derived deep eutectic solvents promoted cycloaddition of CO2 with epoxides under mild and additive-free conditions.
Journal of CO2 Utilization,
54
(101750).
3.
Zheng Zou, Zijie Xiao, Wenxin Dong, Wei Dang, Shusheng Pan, Xiaojun Su, Wei Zhang.
(2025)
Carrier recombination dynamics in [MAPbCl3]x[CsPbBr3]1−x shell-passivated CsPbBr3 single crystals.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS,
27
(10):
(5109-5116).
4.
Rong Wu, Yansong Yue, Qingya Wang, Jing Wei, Liberato Manna, Fangze Liu, Hongbo Li.
(2025)
Centimeter-Sized CsPbBr3 Single-Crystal Films for Energy-Resolved Radiation Detection.
ACS Applied Materials & Interfaces,
17
(5):
(8055-8063).
5.
Zhang Qing, Dai Ziliang, Zhang Lili, Wang Zhiguo.
(2024)
Insights into the critical role of anions in nanofibrillation of cellulose in deep eutectic solvents.
CELLULOSE,
(1-18).
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