Choline bitartrate - ≥98%, contains silicon dioxide as stabilizer , CAS No.87-67-2

CAS: 87-67-2 Cat. No.: C301989 Molecular Weight: 253.25 EC Number: 201-763-4

GRADE & PURITY ≥98%, contains silicon dioxide as stabilizer

Synonyms

2-hydroxyethyl(trimethyl)azanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate | 2-hydroxyethyl(trimethyl)azanium;2,3,4-trihydroxy-4-oxobutanoate | BCP23009 | 2-Hydroxy-N,N,N-trimethylethanaminium 3-carboxy-2,3-dihydroxypropanoate | Choline tartrate (1:1) | CHO

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

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

Synonyms

2-hydroxyethyl(trimethyl)azanium;(2R, 3R)-2, 3, 4-trihydroxy-4-oxobutanoate | 2-hydroxyethyl(trimethyl)azanium;2, 3, 4-trihydroxy-4-oxobutanoate | BCP23009 | 2-Hydroxy-N, N, N-trimethylethanaminium 3-carboxy-2, 3-dihydroxypropanoate | Choline tartrate (1:1) | CHO

Specifications & Purity

≥98%, contains silicon dioxide as stabilizer

Biochemical and Physiological Mechanisms

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

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C[N+](C)(C)CCO.C(C(C(=O)[O-])O)(C(=O)O)O
• WGK Germany: 3
• Molecular Weight: 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
    • 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: 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
• 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

Chemical and Physical Properties

• Solubility: Soluble in alcohol and slightly soluble in water.
• Sensitivity: Moisture sensitive
• Specific Rotation[α]: 17° (C=10,H2O)
• Melt Point(°C): 150 °C
• Molecular Weight: 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

References

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]