Hexaethylguanidium chloride

• CAS: 69082-76-4
• Catalog Number: ACM69082764
• Category: Other Products
• Molecular Weight: 263.8504
• Molecular Formula: C13H30ClN3
• Description: Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride is a synthetic compound that has been extensively studied for its potential applications in scientific research. The compound is commonly referred to as Methylene Blue, and it has been used in a variety of research fields, including biochemistry, neuroscience, and pharmacology.
• Synonyms: HEXAETHYL GUANIDINIUM CHLORIDE;Ethanaminium, N-(bis(diethylamino)methylene)-N-ethyl-, chloride;Ethanaminium, N-(bis(diethylamino)methylene)-N-ethyl-, chloride (1:1);Hexaethylguanidium Chloride;N-(Bis(diethylamino)methylene)-N-ethylethanaminium chloride
• IUPAC Name: bis(diethylamino)methylidene-diethylazanium;chloride
• Canonical SMILES: CCN(CC)C(=[N+](CC)CC)N(CC)CC.[Cl-]
• InChI: InChI=1S/C13H30N3.ClH/c1-7-14(8-2)13(15(9-3)10-4)16(11-5)12-6;/h7-12H2,1-6H3;1H/q+1;/p-1
• InChI Key: LYWKAJZTPLXHEM-UHFFFAOYSA-M
• Appearance: Liquid
• Application: Methylene Blue has been used in a variety of scientific research applications, including biochemistry, neuroscience, and pharmacology. In biochemistry, Methylene Blue has been used as a redox indicator to study the kinetics of electron transfer reactions. In neuroscience, Methylene Blue has been used as a staining agent to visualize neuronal structures and to study the function of mitochondria. In pharmacology, Methylene Blue has been studied for its potential therapeutic effects in the treatment of neurodegenerative diseases, such as Alzheimer's disease and Parkinson's disease.
• Storage: Store at 2-8 ℃
• Exact Mass: 263.213
• PSA: 9.49

Case Study

Hexaethylguanidine Chloride as Phase-transfer Catalyst

Shipilov A I,et al. Russian journal of organic chemistry, 2002, 38(2): 220-223.

Hexaethylguanidine chloride are widely used as phase-transfer catalysts due to their exceptional stability at high temperature. "Onium" catalysts [hexaethylguanidinium chloride, tetra(diethylamino)phosphonium bromide] can take part in the stabilization of the intermediate σ-complex. In the presence of a phase transfer catalyst, potassium fluoride can be further used to carry out the fluorination dechlorination reaction of polychlorofluorobenzenes.
The maximal conversion rate (with respect to the sum of isomers) for trifluorotrichlorobenzenes is observed with compounds V (hexaethylguanidine chloride) as catalysts.

Custom Q&A

What is the molecular formula of Hexaethylguanidium chloride?

The molecular formula of Hexaethylguanidium chloride is C13H30ClN3.

What is the molecular weight of Hexaethylguanidium chloride?

The molecular weight of Hexaethylguanidium chloride is 263.85 g/mol.

What is the IUPAC name of Hexaethylguanidium chloride?

The IUPAC name of Hexaethylguanidium chloride is bis(diethylamino)methylidene-diethylazanium;chloride.

What are some synonyms for Hexaethylguanidium chloride?

Some synonyms for Hexaethylguanidium chloride include Hexaethylguanidinium chloride, Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride, and HEXAETHYL GUANIDINIUM CHLORIDE.

What is the InChIKey for Hexaethylguanidium chloride?

The InChIKey for Hexaethylguanidium chloride is LYWKAJZTPLXHEM-UHFFFAOYSA-M.

What is the canonical SMILES representation of Hexaethylguanidium chloride?

The canonical SMILES representation of Hexaethylguanidium chloride is CCN(CC)C(=[N+](CC)CC)N(CC)CC.[Cl-].

What is the CAS number for Hexaethylguanidium chloride?

The CAS number for Hexaethylguanidium chloride is 69082-76-4.

What is the European Community (EC) number for Hexaethylguanidium chloride?

The European Community (EC) number for Hexaethylguanidium chloride is 614-921-6.

How many hydrogen bond acceptors does Hexaethylguanidium chloride have?

Hexaethylguanidium chloride has 1 hydrogen bond acceptor.

Is Hexaethylguanidium chloride a covalently-bonded unit?

Yes, Hexaethylguanidium chloride is a covalently-bonded unit with a count of 2.

Synthetic Use

Upstream Synthesis Route 1

• 74201-02-8
• 98-88-4

• 69082-76-4
• 4461-33-0

Reference: [1]Kantlehner, Willi; Kapassakalidis, Johannis J.; Speh, Peter; Braeuner, Hans-Juergen
[Liebigs Annalen der Chemie, 1980, # 3, p. 389 - 393]

Upstream Synthesis Route 2

• 74119-86-1
• 98-88-4

• 69082-76-4
• 532-55-8

Reference: [1]Kantlehner, Willi; Kapassakalidis, Johannis J.; Speh, Peter; Braeuner, Hans-Juergen
[Liebigs Annalen der Chemie, 1980, # 3, p. 389 - 393]

Downstream Synthesis Route 1

• 143-66-8
• 69082-76-4

• 89610-22-0

Reference: [1]Kantlehner, Willi; Haug, Erwin; Mergen, Walter W.; Speh, Peter; Maier, Thomas; et al.
[Liebigs Annalen der Chemie, 1984, # 1, p. 108 - 126]

* For details of the synthesis route, please refer to the original source to ensure accuracy.