Butyrylcholine chloride

Base Information

• Chemical Name: Butyrylcholine chloride
• CAS No.: 2963-78-2
• Molecular Formula: C9H20 N O2 . Cl
• Molecular Weight: 209.716
• Hs Code.: 2923900090
• European Community (EC) Number: 220-999-9
• NSC Number: 70378
• DSSTox Substance ID: DTXSID40952094
• ChEMBL ID: CHEMBL1867477
• Mol file: 2963-78-2.mol

Synonyms:butyrylcholine;butyrylcholine bromide;butyrylcholine chloride;butyrylcholine iodide;butyrylcholine perchlorate

Chemical Property of Butyrylcholine chloride

Chemical Property:

• Melting Point: 108-111 C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: g/cm³
• LogP: -1.96010
• Storage Temp.: −20°C
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 209.1182566
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

Butyrylcholine chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(=O)OCC[N+](C)(C)C.[Cl-]

Technology Process of Butyrylcholine chloride

There total 6 articles about Butyrylcholine chloride 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: 89.0%

choline chloride (67-48-1) + butyryl chloride (141-75-3) → butyrylcholine chloride (2963-78-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 1h;

Reference yield:

chlormequat chloride (999-81-5) + butyric acid (107-92-6) → butyrylcholine chloride (2963-78-2)

Guidance literature:

With sodium hydroxide; In methanol; Cooling;

Reference yield:

2-chloroethyl butanoate (6065-72-1) + trimethylamine (75-50-3) → butyrylcholine chloride (2963-78-2)

Guidance literature:

With benzene;

upstream raw materials:

butanoic acid anhydride

choline chloride

butyryl chloride

butyric acid

Downstream raw materials:

choline

butyric acid

Refernces

• 1、 -. "FOOD SUPPLEMENT AND COMPOSITION COMPRISING CHOLINE BUTYRATE SALT AND/OR BUTYRYLCHOLINE". Page/Page column 22;23. . Retrieved 2017/12/09.