Choline bicarbonate

Base Information

• Chemical Name: Choline bicarbonate
• CAS No.: 78-73-9
• Deprecated CAS: 942603-48-7
• Molecular Formula: C5H14NO.CHO3
• Molecular Weight: 165.189
• European Community (EC) Number: 201-137-0
• NSC Number: 163321
• UNII: V23DAH2UHH
• DSSTox Substance ID: DTXSID9051246
• Wikidata: Q27291433
• Mol file: 78-73-9.mol

Synonyms:CHOLINE BICARBONATE;78-73-9;Choline hydrogen carbonate;Choline carbonate (1:1);Choline, hydrogen carbonate;2-hydroxy-N,N,N-trimethylethanaminium hydrogencarbonate;(2-Hydroxyethyl)trimethylammonium bicarbonate;UNII-V23DAH2UHH;V23DAH2UHH;Hydroxyethyltrimethylammonium bicarbonate;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium;Choline, carbonate (1:1) (salt);EINECS 201-137-0;NSC 163321;NSC-163321;EC 201-137-0;Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, carbonate (1:1) (salt);C5H14NO.CHO3;2-Hydroxyethyl)trimethylammonium bicarbonate;SCHEMBL182251;DTXSID9051246;C5-H14-N-O.C-H-O3;MFCD00031689;NSC163321;AKOS006228790;AS-81041;FT-0631347;E77589;2-hydroxy-N,N,N-trimethylethanaminiumhydrogencarbonate;Ethanaminium,N,N-trimethyl-, carbonate (1:1) (salt);Q27291433;2-hydroxy-N,N,N-trimethylethanaminium hydrogen-carbonate;Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, carbonate (1:1)

Chemical Property of Choline bicarbonate

Chemical Property:

• Vapor Pressure: 23.904hPa at 25℃
• Refractive Index: n20/D 1.45
• PSA: 80.59000
• Density: 1.17
• LogP: -1.42740
• Storage Temp.: 2-8°C
• Water Solubility.: 750g/L at 20℃
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 165.10010796
• Heavy Atom Count: 11
• Complexity: 71.3

Purity/Quality:

50% , ^*data from raw suppliers

Choline bicarbonate ~80% in H2O ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Biological Agents -> Vitamins and Derivatives
• Canonical SMILES: C[N+](C)(C)CCO.C(=O)(O)[O-]
• Uses: Choline Bicarbonate is compound is used for protein delivery. Choline, a water soluble essential nutrient, is used by the body to make phosphatidylcholine phosphatides and neurotransmitter such as acetylcholine. Choline is used to study a wide range of biological processes from stem cell development to neurological disease studies. Also, An alkaline intermediate useful for preparing salts. Alkaline catalyst, intermediate for choline salts and surfactants.

Technology Process of Choline bicarbonate

There total 3 articles about Choline bicarbonate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 69.0%

2-(N,N-dimethylamino)ethanol (108-01-0) + carbonic acid dimethyl ester (616-38-6) → cholinium hydrogen carbonate (78-73-9)

Guidance literature:

In methanol; at 120 ℃; for 6h; Autoclave;

DOI:10.1002/cplu.201200247

Reference yield:

Hydrogen carbonate(2-methoxycarbonyloxy-ethyl)-trimethyl-ammonium; → cholinium hydrogen carbonate (78-73-9)

Guidance literature:

With sodium hydroxide; acetylcholine esterase; at 25 ℃; Rate constant;

DOI:10.1002/ardp.19813141106

Reference yield:

Hydrogen carbonate(2-ethoxycarbonyloxy-ethyl)-trimethyl-ammonium; → cholinium hydrogen carbonate (78-73-9)

Guidance literature:

With sodium hydroxide; acetylcholine esterase; at 25 ℃; Rate constant;

DOI:10.1002/ardp.19813141106

upstream raw materials:

2-(N,N-dimethylamino)ethanol

carbonic acid dimethyl ester

Downstream raw materials:

<3-<3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl>-1,2,4-thiadiazol-5-yl>cyanamide choline salt

(2-hydroxyethyl)trimethylammonium octanoate

choline acetate

choline choline dihydrogen phosphate

Refernces

• 1、 Rocha, Angelo,Carvalho, Tnia,Vidinha, Pedro,Lourenao, Nuno M.T.. "Synthesis and properties of room-temperature choline carboxylate zwitterionic ionic liquids as potential electrolytes". . p. 1106 - 1111. Retrieved 2013/03/13.