Choline Choline
Structural formula
| Business number | 01CB |
|---|---|
| Molecular formula | C5H14NO+ |
| Molecular weight | 104.17 |
| label |
2-Hydroxy-N,N,N-trimethylethylammonium, 2-Hydroxy-N,N,N-trimethyl-Ethanamine |
Numbering system
CAS number:62-49-7
MDL number:None
EINECS number:204-625-1
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Character:Strongly alkaline viscous liquid or crystal
2. Density (g/mL,20/4℃):1.09
3. Relative vapor density ( g/mL,AIR =1): Unsure
4. Melting point (ºC): Unsure
5. Boiling point (ºC,Normal pressure): Uncertain
6. Boiling point (ºC, 5.2kPa): Unsure
7. Refractive index:n20/D 1.418
8. Flash Point (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
12. Saturated vapor pressure (Explosion limit (%,V/V): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility: soluble in water and alcohol, insoluble in ether.
Toxicological data
Acute toxicity: Cat subcutaneous injection LDLo: 150 mg/kg; cat intravenous LDLo： 35 mg/kg;
Rabbit subcutaneous injection LDLo: 500 mg/kg; Rabbit vein LDLo: 70 mg/kg; Rabbit rectumLDLo：460 mg/kg;
Guinea pig abdominal cavityLDLo： 450 mg/kg;Frog subcutaneous injection LDLo: 1500 mg/kg ;
Ecological data
None yet
Molecular structure data
None yet
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -0.4
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 7
8. Surface charge: 1
9. Complexity: 46.5
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
heat in acidic solution It is stable, easily absorbs carbon dioxide in the air, has strong water absorption, and decomposes when exposed to heat. It tastes pungent and bitter.
Storage method
None yet
Synthesis method
Choline is obtained by methylating formaldehyde with ammonium chloride to obtain trimethylamine, and then adding it with ethylene oxide.
Purpose
Organic synthesis intermediates; used Biochemical research.
Number of subunits: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine chemical bonds Number of stereocenters: 0
14. Number of stereocenters of uncertain chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
heat in acidic solution It is stable, easily absorbs carbon dioxide in the air, has strong water absorption, and decomposes when exposed to heat. It tastes pungent and bitter.
Storage method
None yet
Synthesis method
Choline is obtained by methylating formaldehyde with ammonium chloride to obtain trimethylamine, and then adding it with ethylene oxide.
Purpose
Organic synthesis intermediates; used Biochemical research.
