Butyrylcholine iodide

Base Information

• Chemical Name: Butyrylcholine iodide
• CAS No.: 2494-56-6
• Molecular Formula: C9H20 N O2 . I
• Molecular Weight: 301.168
• Hs Code.: 2923900090
• European Community (EC) Number: 219-666-0
• NSC Number: 97539
• UNII: KX2MFG93T5
• DSSTox Substance ID: DTXSID60883856
• ChEMBL ID: CHEMBL147380
• Mol file: 2494-56-6.mol

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

Chemical Property of Butyrylcholine iodide

Chemical Property:

• Melting Point: 85-89 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: g/cm³
• LogP: -1.96010
• Storage Temp.: 2-8°C
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 301.05388
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

98%,99%, ^*data from raw suppliers

Butyrylcholine Iodide ^*data from reagent suppliers

Safty Information:

• 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.[I-]
• Uses: Butyrylcholine Iodide is used in preparation of PEDOT:PSS materials for quantum dot light-emitting diodes.

Technology Process of Butyrylcholine iodide

There total 2 articles about Butyrylcholine iodide 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:

trimethylamine (75-50-3) → butyryl choline iodide (2494-56-6)

Guidance literature:

With benzene; at 100 ℃;

Reference yield:

2-(Dimethylamino)ethyl butyrate (16597-65-2) + methyl iodide (74-88-4) → butyryl choline iodide (2494-56-6)

Guidance literature:

With diethyl ether;

Reference yield:

butyryl choline iodide (2494-56-6) → choline (62-49-7)

Guidance literature:

With human serum butyrylcholinesterase; In aq. buffer; pH=5; Reagent/catalyst; Kinetics; Enzymatic reaction;

DOI:10.1016/j.ab.2018.03.012

upstream raw materials:

2-(Dimethylamino)ethyl butyrate

methyl iodide

trimethylamine

Downstream raw materials:

choline