Allyltrimethylammonium chloride

Base Information

• Chemical Name: Allyltrimethylammonium chloride
• CAS No.: 1516-27-4
• Molecular Formula: C6H14ClN
• Molecular Weight: 135.637
• European Community (EC) Number: 216-164-3
• NSC Number: 51212
• UNII: TNV3AA7VHH
• DSSTox Substance ID: DTXSID00883577
• Wikidata: Q27290048
• Mol file: 1516-27-4.mol

Synonyms:1516-27-4;ALLYLTRIMETHYLAMMONIUM CHLORIDE;Homoneurine chloride;N,N,N-Trimethyl-2-propen-1-aminium chloride;2-Propen-1-aminium, N,N,N-trimethyl-, chloride;Ammonium, allyltrimethyl-, chloride;HSDB 5834;TNV3AA7VHH;UNII-TNV3AA7VHH;2-Propen-1-aminium, N,N,N-trimethyl-, chloride (1:1);EINECS 216-164-3;NSC 51212;trimethyl(prop-2-enyl)azanium;chloride;MFCD01674654;NSC-51212;trimethyl(prop-2-enyl)azanium chloride;trimethyl(prop-2-enyl)azanium,chloride;allyltrimethylammoniumchloride;Allyltrimethylammoniumchlorid;C6H14N.Cl;trimethylallylammonium chloride;SCHEMBL168103;C6-H14-N.Cl;DTXSID00883577;HOMONEURINE CHLORIDE [HSDB];BAA51627;BCP14578;NSC51212;AC2497;AKOS006230270;JC10065;trimethyl(prop-2-enyl)ammonium chloride;LS-16696;SY039193;CS-0158034;FT-0654219;2-Propen-1-aminium,N,N-trimethyl-, chloride;A809199;TRIMETHYL(PROP-2-EN-1-YL)AZANIUM CHLORIDE;Q27290048

Chemical Property of Allyltrimethylammonium chloride

Chemical Property:

• Melting Point: 185-186 °C(Solv: acetone (67-64-1))
• PSA: 0.00000
• LogP: -2.11740
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.0814771
• Heavy Atom Count: 8
• Complexity: 59.1

Purity/Quality:

99% ^*data from raw suppliers

Allyltrimethylammoniumchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: C[N+](C)(C)CC=C.[Cl-]

Technology Process of Allyltrimethylammonium chloride

There total 3 articles about Allyltrimethylammonium 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: 71.0%

trimethylamine hydrochloride (593-81-7) + allyl bromide (106-95-6) → trimethylallylammonium chloride (1516-27-4)

Guidance literature:

trimethylamine hydrochloride; With sodium hydroxide; In ethanol; at 0 ℃; for 0.166667h;

allyl bromide; In ethanol; at 0 - 20 ℃;

In ethanol;

DOI:10.1002/jlcr.3082

Reference yield: 45.0%

3-chloroprop-1-ene (107-05-1) + trimethylamine (75-50-3) → trimethylallylammonium chloride (1516-27-4)

Guidance literature:

In ethanol; at 20 ℃; for 2h;

DOI:10.1002/anie.202110223

Reference yield:

trimethyl-(3-chloro-propyl)-ammonium (95467-54-2) → trimethylallylammonium chloride (1516-27-4)

Guidance literature:

With sodium ethanolate;

upstream raw materials:

trimethyl-(3-chloro-propyl)-ammonium

3-chloroprop-1-ene

trimethylamine

trimethylamine hydrochloride

Downstream raw materials:

dimethyl amine

propene

methane

trimethylamine