(2-Hydroxyethyl)trimethylammonium Bromide - ≥98% , CAS No.1927-06-6

CAS: 1927-06-6 Cat. No.: C333456 Molecular Weight: 184.08 EC Number: 217-660-2

GRADE & PURITY ≥98%

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

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

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

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754853
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754853
• Canonical Smiles: C[N+](C)(C)CCO.[Br-]
• IUPAC Name: 2-hydroxyethyl(trimethyl)azanium;bromide
• InChIKey: JJCWKVUUIFLXNZ-UHFFFAOYSA-M
• INCHI: 1S/C5H14NO.BrH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

nfo Endonuclease 4 (425 Activities)

Discover Target: nfo

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 298 °C
• Molecular Weight: 184.070 g/mol
• 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

XLogP3

References

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,      [PMID:] [10.1021/acs.iecr.3c00145]

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,      [PMID:] [10.1016/j.jcou.2021.101750]

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).  [PMID:39967491] [10.1039/D4CP04310C]

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,      [PMID:39846177] [10.1021/acsami.4c21983]

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,      [PMID:] [10.1007/s10570-024-06297-7]

6. Yansong Yue, Rong Wu, Qingya Wang, Xiaoya Sun, Zhen Guan, Jing Wei, Hongbo Li, Fangze Liu.  (2025)  Enhanced Performance of CsPbBr3 Radiation Detectors by Surface Passivation and Transient Current Analysis.  Physica Status Solidi-Rapid Research Letters,      [PMID:] [10.1002/pssr.202500137]