Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, inner salt

Base Information

• Chemical Name: Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, inner salt
• CAS No.: 44519-34-8
• Molecular Formula: C5H13NO
• Molecular Weight: 103.164
• DSSTox Substance ID: DTXSID90963236
• Nikkaji Number: J21.038B
• Wikidata: Q82945062
• Mol file: 44519-34-8.mol

Synonyms:44519-34-8;Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, inner salt;2-Hydroxy-N,N,N-trimethylethanaminium, hydroxide, inner salt;Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt;Anhydrocholine;2-(trimethylazaniumyl)ethanolate;2-(trimethylammonio)ethanolate;SCHEMBL7716705;DTXSID90963236;2-(Trimethylazaniumyl)ethan-1-olate;A805069

Chemical Property of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, inner salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 23.06000
• Density: g/cm³
• LogP: 0.12310
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 103.099714038
• Heavy Atom Count: 7
• Complexity: 46.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CC[O-]

Technology Process of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, inner salt

There total 1 articles about Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, inner salt 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:

choline (62-49-7) → anhydrocholine (44519-34-8)

Guidance literature:

In water; at 18 ℃; Equilibrium constant; Thermodynamic data; other solvents, various temperatures, SDH^o, ΔS^o; enthalpies of solvent transfer;

DOI:10.1021/ja00387a005

Reference yield:

anhydrocholine (44519-34-8) → choline (62-49-7)

Guidance literature:

In water; at 18 ℃; Equilibrium constant; other solvents, various temperatures; enthalpy of solvent transfer;

DOI:10.1021/ja00387a005

upstream raw materials:

choline

Downstream raw materials:

choline

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