Choline sulfate

Base Information

• Chemical Name: Choline sulfate
• CAS No.: 4858-96-2
• Molecular Formula: C5H13NO4S
• Molecular Weight: 184.2334
• NSC Number: 46242
• UNII: 9Q5XI11K27
• DSSTox Substance ID: DTXSID70274271
• Wikidata: Q27102096
• Metabolomics Workbench ID: 50662
• Mol file: 4858-96-2.mol

Synonyms:2-Hydroxy-N,N,N-trimethylethanaminium;Bitartrate, Choline;Bursine;Chloride, Choline;Choline;Choline Bitartrate;Choline Chloride;Choline Citrate;Choline Hydroxide;Choline O Sulfate;Choline O-Sulfate;Citrate, Choline;Fagine;Hydroxide, Choline;O-Sulfate, Choline;Vidine

Chemical Property of Choline sulfate

Chemical Property:

• PSA: 74.81000
• LogP: 0.25020
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 183.05652907
• Heavy Atom Count: 11
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

Choline O-sulfate - D13 ,98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C[N+](C)(C)CCOS(=O)(=O)[O-]

Technology Process of Choline sulfate

There total 4 articles about Choline sulfate 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:

choline chloride (67-48-1) → choline sulfate (4858-96-2)

Guidance literature:

With sulfuric acid;

Reference yield:

(2-bromoethyl)trimethylammonium bromide (2758-06-7) → choline sulfate (4858-96-2)

Guidance literature:

With water; silver sulfate;

Reference yield:

chlormequat chloride (999-81-5) → choline sulfate (4858-96-2)

Guidance literature:

With silver sulfate; Heating;

upstream raw materials:

choline chloride

(2-bromoethyl)trimethylammonium bromide

chlormequat chloride

water