N-butyl-4-metylpyridinium chloride

• CAS: 112400-86-9
• Catalog Number: ACM112400869
• Category: Pyridinium Ionic Liquids
• Molecular Weight: 185.69
• Molecular Formula: C10H16ClN
• IUPAC Name: 1-butyl-4-methylpyridin-1-ium;chloride
• Canonical SMILES: CCCC[N+]1=CC=C(C=C1)C.[Cl-]
• InChI: InChI=1S/C10H16N.ClH/c1-3-4-7-11-8-5-10(2)6-9-11;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1
• InChI Key: YTSDTJNDMGOTFN-UHFFFAOYSA-M
• Application: Metal Plating, Electropolishing, Metal Reprocessing, Phase transfer media, Batteries Fuel Cells, Nanomaterials, Industrial Solvents, Nuclear Fuel Red Waste, Enzymatic Catalysis, Lubricants Heat Transfer and Solar Energy Conversion.
• Abbreviation: B4MePyCl
• Chemical Formula: B4MePyCl
• Complexity: 93
• Covalently-Bonded Unit Count: 2
• Exact Mass: 185.097127g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 12
• Monoisotopic Mass: 185.097127g/mol
• Rotatable Bond Count: 3
• UNII: V4ZM1NC0YI

Custom Q&A

What is the molecular formula of N-butyl-4-metylpyridinium chloride according to the reference?

The molecular formula is C10H16ClN.

When was N-butyl-4-metylpyridinium chloride created and last modified?

It was created on October 26, 2006, and last modified on December 30, 2023.

What is the IUPAC name of N-butyl-4-metylpyridinium chloride?

The IUPAC name is 1-butyl-4-methylpyridin-1-ium;chloride.

What is the molecular weight of N-butyl-4-metylpyridinium chloride?

The molecular weight is 185.69 g/mol.

What are some synonyms of N-butyl-4-metylpyridinium chloride?

Some synonyms include 1-Butyl-4-methylpyridinium chloride, 112400-86-9, and V4ZM1NC0YI.

What is the InChIKey of N-butyl-4-metylpyridinium chloride?

The InChIKey is YTSDTJNDMGOTFN-UHFFFAOYSA-M.

What is the Canonical SMILES of N-butyl-4-metylpyridinium chloride?

The Canonical SMILES is CCCC[N+]1=CC=C(C=C1)C.[Cl-].

How many hydrogen bond acceptor counts does N-butyl-4-metylpyridinium chloride have?

It has 1 hydrogen bond acceptor count.

What is the exact mass of N-butyl-4-metylpyridinium chloride?

The exact mass is 185.0971272 g/mol.

Is N-butyl-4-metylpyridinium chloride a canonicalized compound according to PubChem?

Yes, it is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 108-89-4
• 109-69-3

• 112400-86-9

Reference: [1]Ochȩdzan-Siodłak, Wioletta; Dziubek, Katarzyna; Siodłak, Dawid
[Journal of Molecular Liquids, 2013, vol. 177, p. 85 - 93]
[2]Jerchel et al.
[Justus Liebigs Annalen der Chemie, 1958, vol. 613, p. 153,155, 162]
[3]Location in patent: experimental part
Lee, Ki Young; Kim, Chang Soo; Kim, Honggon; Cheong, Minserk; Mukherjee, Deb Kumar; Jung, Kwang-Deog
[Bulletin of the Korean Chemical Society, 2010, vol. 31, # 7, p. 1937 - 1940]

Downstream Synthesis Route 1

• 112400-86-9

• 114352-69-1

Reference: [1]Jerchel et al.
[Justus Liebigs Annalen der Chemie, 1958, vol. 613, p. 153,155, 162]
[2]Jerchel et al.
[Justus Liebigs Annalen der Chemie, 1958, vol. 613, p. 153,155, 162]

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