Choline Iodide - ≥98%(T) , CAS No.17773-10-3

CAS: 17773-10-3 Cat. No.: C153893 Summenformel: C₅H₁₄INO Molekulargewicht: 231.08 EG-Nummer: 241-754-2 PubChem CID: 87300

GRADE & PURITY ≥98%(T)

Synonyms

(2-Hydroxyethyl)trimethylammonium Iodide | Choline iodide | AKOS027320917 | D70215 | SY109404 | (2-hydroxyethyl)trimethylazanium iodide | FT-0623771 | Jodoetano | HY-W039760 | AS-69536 | 2-hydroxyethyl(trimethyl)azanium;iodide | AI3-61505 | C5H14INO | C25

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

(2-Hydroxyethyl)trimethylammonium Iodide | Choline iodide | AKOS027320917 | D70215 | SY109404 | (2-hydroxyethyl)trimethylazanium iodide | FT-0623771 | Jodoetano | HY-W039760 | AS-69536 | 2-hydroxyethyl(trimethyl)azanium;iodide | AI3-61505 | C5H14INO | C25

Spezifikationen & Reinheit

≥98%(T)

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%(T)

Namen und Kennungen

• Pubchem Sid: 504755876
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755876
• Kanonisches Lächeln: C[N+](C)(C)CCO.[I-]
• IUPAC Name: 2-hydroxyethyl(trimethyl)azanium;iodide
• InChIKey: FNPBHXSBDADRBT-UHFFFAOYSA-M
• INCHI: 1S/C5H14NO.HI/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
• Isomere SMILES: C[N+](C)(C)CCO.[I-]
• RTECS: GA4100000
• PubChem CID: 87300
• Molekulargewicht: 231.08
• Reaxy-Rn: 3912691

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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 iodide salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Choline - Tetraalkylammonium salt - 1,2-aminoalcohol - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Amine - Alcohol - Aliphatic acyclic compound
• Beschreibung: 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

Zugehörige Ziele (menschlich)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in methanol
• Empfindlichkeit: Moisture sensitive；light sensitive
• Schmelzpunkt (°C): 270℃
• Molekulargewicht: 231.080 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 231.012 Da
• Monoisotopic Mass: 231.012 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

Referenzen

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. Ruyi Tang, Xuemin Xia, Xia Zhang, Huan Jiang, Baihui Wang, Peilei Zhang, Yujin Zhang, Yanxue Tang, Yi Zhou.  (2021)  Synergistic function of Au NPs/GeO2 nanozymes with enhanced peroxidase-like activity and SERS effect to detect choline iodide.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:34637988] [10.1016/j.saa.2021.120467]

4. Xu Haitao, Wang Luguang, Lin Cunguo, Zheng Jiyong, Wen Qing, Chen Ye, Wang Yuyang, Qi Lijuan.  (2020)  Improved Simultaneous Decolorization and Power Generation in a Microbial Fuel Cell with the Sponge Anode Modified by Polyaniline and Chitosan.  APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY,  192  (2): (698-718).  [PMID:32515002] [10.1007/s12010-020-03346-2]

5. Anlian Zhu, Wanlu Feng, Zhiyong Li, Shuang Cheng, Qianhan Chen, Dongshuang Fan, Yuanyang Guo, Lingjun Li, Jianji Wang.  (2020)  Cleaner enzymatic production of biodiesel with easy separation procedures triggered by a biocompatible hydrophilic ionic liquid.  GREEN CHEMISTRY,  22  (6): (1944-1951).  [PMID:] [10.1039/C9GC03796A]