Choline bitartrate - 10mM in Water , CAS No.87-67-2

CAS: 87-67-2 Cat. No.: C426624 分子式: C₉H₁₉NO₇ 分子量: 253.25 EC番号: 201-763-4

GRADE & PURITY 10mM in Water

Synonyms

CHOLINE BITARTRATE|87-67-2|CHOLINI BITARTRAS|2-(Hydroxyethyl)trimethylammonium bitartrate|Choline tartrate (1:1)|2-hydroxyethyl(trimethyl)azanium;2,3,4-trihydroxy-4-oxobutanoate|Cholinebitartrate|Cholinibitatratis|2-Hydroxy-N,N,N-trimethylethanaminium 3-c

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Choline bitartrate has been used as one of the components in experimental diets to study the effects on reproductive processes and on bone genes during gestation and lactation.

Specifications

同義語

CHOLINE BITARTRATE | 87-67-2 | CHOLINI BITARTRAS | 2-(Hydroxyethyl)trimethylammonium bitartrate | Choline tartrate (1:1) | 2-hydroxyethyl(trimethyl)azanium;2,3,4-trihydroxy-4-oxobutanoate | Cholinebitartrate | Cholinibitatratis | 2-Hydroxy-N,N,N-trimethylethanaminium 3-c

仕様と純度

10mM in Water

生化学的・生理学的メカニズム

Choline bitartrate is known to serve as a dietary supplement. Choline acts as a precursor for acetylcholine synthesis.

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• パブケム・シド: 528764196
• カノニカル・スマイル: C[N+](C)(C)CCO.C(C(C(=O)[O-])O)(C(=O)O)O
• IUPAC Name: 2-hydroxyethyl(trimethyl)azanium;2,3,4-trihydroxy-4-oxobutanoate
• InChIKey: QWJSAWXRUVVRLH-UHFFFAOYSA-M
• INCHI: 1S/C5H14NO.C4H6O6/c1-6(2,3)4-5-7;5-1(3(7)8)2(6)4(9)10/h7H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1
• 異性体SMILES: C[N+](C)(C)CCO.C(C(C(=O)[O-])O)(C(=O)O)O
• WGKドイツ: 3
• 分子量: 253.25
• Reaxy-Rn: 4064889
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4064889&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Cholines
• Alternative Parents: Dicarboxylic acids and derivatives Tetraalkylammonium salts 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organic salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Choline - Dicarboxylic acid or derivatives - Tetraalkylammonium salt - 1,2-aminoalcohol - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Primary alcohol - Organooxygen compound - Amine - Alcohol - Aliphatic acyclic compound
• 説明: 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

化学的性質と物理的性質

• 感度: Moisture sensitive
• 比旋光度［α］: 17° (C=10,H2O)
• 融点（°C）: 150 °C
• 分子量: 253.250 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 253.116 Da
• Monoisotopic Mass: 253.116 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 193.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

参考文献

1. Xianqi Wang, Jie Wang, Beibei Hu, Yuyue Zhang, Hongzhe Tian.  (2024)  Rapid determination of organophosphorus insecticides residue in fruit juice by a fluorescence sensor based on carbon quantum dots.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.106816]

2. Yuyue Zhang, Beibei Hu, Xianqi Wang, Hongzhe Tian.  (2025)  Synthesis and Characterization of N-Doped Carbon Quantum Dots and Its Toxic Effects on Chlorella vulgaris.  ChemistrySelect,  10  (25): (e01361).  [PMID:] [10.1002/slct.202501361]