Methyltri-n-octylammonium Chloride

• CAS: 5137-55-3
• Catalog Number: ACM5137553
• Category: Ammonium Ionic Liquids
• Molecular Weight: 404.164g/mol
• Molecular Formula: C25H54ClN
• Synonyms: 102055-EP2275469A1; Aliquat 336; UNII-07Q8S2MJ6A; N-Methyl-N,N-dioctyl-1-octanaminium chloride; EINECS 225-896-2; methyl(trioctyl)azanium chloride; 93810-EP2305625A1; methyl trioctylammonium chloride; XKBGEWXEAPTVCK-UHFFFAOYSA-M; NSC 61369
• IUPAC Name: methyl(trioctyl)azanium;chloride
• Canonical SMILES: CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[Cl-]
• InChI: InChI=1S/C25H54N.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1
• InChI Key: XKBGEWXEAPTVCK-UHFFFAOYSA-M
• Complexity: 220
• Covalently-Bonded Unit Count: 2
• EC Number: 225-896-2
• Exact Mass: 403.394g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 27
• Monoisotopic Mass: 403.394g/mol
• NSC Number: 61369
• Rotatable Bond Count: 21
• Topological Polar Surface Area: 0A^2
• UNII: 07Q8S2MJ6A

Custom Q&A

What is the molecular formula of Methyltrioctylammonium chloride?

The molecular formula of Methyltrioctylammonium chloride is C25H54ClN.

When was Methyltrioctylammonium chloride created and last modified?

Methyltrioctylammonium chloride was created on 2005-07-19 and last modified on 2023-12-23.

What role does Methyltrioctylammonium chloride have?

Methyltrioctylammonium chloride has a role as a phase-transfer catalyst.

What is the IUPAC Name of Methyltrioctylammonium chloride?

The IUPAC Name of Methyltrioctylammonium chloride is methyl(trioctyl)azanium; chloride.

What is the canonical SMILES of Methyltrioctylammonium chloride?

The canonical SMILES of Methyltrioctylammonium chloride is CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[Cl-].

What is the molecular weight of Methyltrioctylammonium chloride?

The molecular weight of Methyltrioctylammonium chloride is 404.2 g/mol.

What are some synonyms for Methyltrioctylammonium chloride?

Some synonyms for Methyltrioctylammonium chloride are Methyltrioctylammonium chloride, Trioctylmethylammonium chloride, and Aliquat 336.

What are some related CAS numbers for Methyltrioctylammonium chloride?

Some related CAS numbers for Methyltrioctylammonium chloride are 35675-86-6 (iodide) and 22061-11-6 (Parent).

What is the hydrogen bond donor count of Methyltrioctylammonium chloride?

The hydrogen bond donor count of Methyltrioctylammonium chloride is 0.

What is the topological polar surface area of Methyltrioctylammonium chloride?

The topological polar surface area of Methyltrioctylammonium chloride is 0-2.

Synthetic Use

Upstream Synthesis Route 1

• 1116-76-3
• 77-78-1

• 5137-55-3

Reference: [1] Advanced Synthesis and Catalysis, 2007, vol. 349, # 11-12, p. 1858 - 1862
[2] Chemical Communications, 2006, # 43, p. 4480 - 4482

Upstream Synthesis Route 2

• 1116-76-3
• 74-87-3

• 5137-55-3

Reference: [1] Patent: JP2016/166158, 2016, A, . Location in patent: Paragraph 0052-0054; 0056

Downstream Synthesis Route 1

• 126-33-0
• 99-54-7
• 5137-55-3

• 350-30-1

Reference: [1] Patent: US4978769, 1990, A,

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