Choline hydroxide Choline hydroxide
Structural formula
| Business number | 03GP |
|---|---|
| Molecular formula | C5H15NO2 |
| Molecular weight | 121.18 |
| label |
Hydroxyethyltrimethylamine hydroxide, (CH3)3N(OH)CH2CH2OH, food additives |
Numbering system
CAS number:123-41-1
MDL number:MFCD00002831
EINECS number:None
RTECS number:None
BRN number:1736748
PubChem ID:None
Physical property data
1. Shape: Strongly alkaline viscous liquid or crystal
2. Solubility: soluble in water and alcohol, insoluble in ether
3. 50%Relative density of aqueous solution:1.073
4. 50%Refractive index of aqueous solution:1.4304
Toxicological data
1, acute toxicity: rats intravenously injected LD50: 21400ug/kg
Ecological data
None yet
Molecular structure data
None yet
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP):
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA):21.2
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 46.5
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. The number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
6. Topological molecular polar surface area (TPSA): 21.2
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 46.5
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. The number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 2
Properties and stability
1. Properties: Strongly alkaline viscous liquid or crystal. Soluble in water and alcohol, insoluble in ether. It is stable to heat in acidic solution, easily absorbs carbon dioxide in the air, has strong water absorption, and decomposes when exposed to heat. It tastes pungent and bitter. 50%Relative density of aqueous solution1.073, refractive index1.4304.
Storage method
None yet
Synthesis method
2. Preparation method: After formaldehyde is methylated with ammonium chloride to obtain trimethylamine, then Addition with ethylene oxide gives choline.
Purpose
3. Uses: organic synthesis intermediates; used in biochemical research.
so-margin-bottom-alt: auto” align=left>14. Uncertain chemical bond Number of stereocenters: 0
15. Number of covalent bond units: 2
Properties and stability
1. Properties: Strongly alkaline viscous liquid or crystal. Soluble in water and alcohol, insoluble in ether. It is stable to heat in acidic solution, easily absorbs carbon dioxide in the air, has strong water absorption, and decomposes when exposed to heat. It tastes pungent and bitter. 50%Relative density of aqueous solution1.073, refractive index1.4304.
Storage method
None yet
Synthesis method
2. Preparation method: After formaldehyde is methylated with ammonium chloride to obtain trimethylamine, then Addition with ethylene oxide gives choline.
Purpose
3. Uses: organic synthesis intermediates; used in biochemical research.
