Benzoylcholine iodide

Base Information

• Chemical Name: Benzoylcholine iodide
• CAS No.: 17518-43-3
• Molecular Formula: C12H18 N O2 . I
• Molecular Weight: 335.185
• Hs Code.: 2923900090
• European Community (EC) Number: 241-517-3
• NSC Number: 19888
• UNII: CA3CYG3NCH
• DSSTox Substance ID: DTXSID30884552
• Mol file: 17518-43-3.mol

Synonyms:Benzoylcholine iodide;17518-43-3;2-(Benzoyloxy)-N,N,N-trimethylethanaminium iodide;Choline, iodide, benzoate;(2-Benzoyloxyethyl)trimethylammonium iodide;2-benzoyloxyethyl(trimethyl)azanium;iodide;Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide;CA3CYG3NCH;Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1);EINECS 241-517-3;NSC 19888;NSC-19888;Choline, iodide benzoate;Choline, benzoate;UNII-CA3CYG3NCH;SCHEMBL2353854;C12H18NO2.I;DTXSID30884552;NSC19888;MFCD00038726;AKOS004901650;HY-W127666;AS-70782;[2-(benzoyloxy)ethyl]trimethylazanium iodide;B0108;CS-0185865;D88605;A881621;J-011075

Chemical Property of Benzoylcholine iodide

Chemical Property:

• Melting Point: 244-247°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: g/cm³
• LogP: -1.44640
• Storage Temp.: −20°C
• Sensitive.: Light Sensitive & Hygroscopic
• Water Solubility.: almost transparency in hot Water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 335.03823
• Heavy Atom Count: 16
• Complexity: 202

Purity/Quality:

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

Benzoylcholine Iodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CCOC(=O)C1=CC=CC=C1.[I-]

Technology Process of Benzoylcholine iodide

There total 8 articles about Benzoylcholine 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:

→ benzoylcholine iodide (17518-43-3)

Guidance literature:

With choline esterase-substances; Hydrolysis;

DOI:10.1002/hlca.19490320217 DOI:10.1126/science.101.2624.385

Reference yield:

choline chloride (67-48-1) + benzoyl chloride (98-88-4) → benzoylcholine iodide (17518-43-3)

Guidance literature:

Reference yield:

benzoyl chloride (98-88-4) → benzoylcholine iodide (17518-43-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 200 - 215 °C

2: butanone; sodium iodide

3: acetone

With acetone; butanone; sodium iodide;

upstream raw materials:

choline chloride

benzoyl chloride

2-iodoethyl benzoate

trimethylamine