Hexanoylcholine

Base Information

• Chemical Name: Hexanoylcholine
• CAS No.: 16639-00-2
• Molecular Formula: C₁₁H₂₄NO₂
• Molecular Weight: 202.317
• DSSTox Substance ID: DTXSID80168096
• Nikkaji Number: J386.418I
• Wikidata: Q27144408
• Metabolomics Workbench ID: 42257
• Mol file: 16639-00-2.mol

Synonyms:caprylylcholine;hexanoylcholine;iodide of hexanoylcholine

Chemical Property of Hexanoylcholine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: g/cm³
• LogP: 1.81610
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 202.180704008
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OCC[N+](C)(C)C

Technology Process of Hexanoylcholine

There total 1 articles about Hexanoylcholine 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:

cholin hydroxide (123-41-1) + hexanoic acid (142-62-1) → choline hexanoate (16639-00-2)

Guidance literature:

at 27 ℃; for 12h;

DOI:10.1021/acs.jpcb.7b07945

upstream raw materials:

cholin hydroxide

hexanoic acid