N-butyl-3-metylpyridinium chloride

• CAS: 125652-55-3
• Catalog Number: ACM125652553
• Category: Pyridinium Ionic Liquids
• Molecular Weight: 185.69g/mol
• Molecular Formula: C10H16ClN
• IUPAC Name: 1-butyl-3-methylpyridin-1-ium;chloride
• SMILES: CCCC[N+]1=CC=CC(=C1)C.[Cl-]
• InChI: InChI=1S/C10H16N.ClH/c1-3-4-7-11-8-5-6-10(2)9-11;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1
• InChI Key: PHCASOSWUQOQAG-UHFFFAOYSA-M
• Abbreviation: B3MePyCl
• Chemical Formula: B3MePyCl
• Complexity: 101
• 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

Custom Q&A

What is the molecular formula of N-butyl-3-methylpyridinium chloride?

The molecular formula of N-butyl-3-methylpyridinium chloride is C10H16ClN.

When was N-butyl-3-methylpyridinium chloride created?

N-butyl-3-methylpyridinium chloride was created on December 5, 2007.

What are some synonyms for N-butyl-3-methylpyridinium chloride?

Some synonyms for N-butyl-3-methylpyridinium chloride include 1-Butyl-3-methylpyridinium Chloride and 3-Methyl-N-Butylpyridinium Chloride.

What is the molecular weight of N-butyl-3-methylpyridinium chloride?

The molecular weight of N-butyl-3-methylpyridinium chloride is 185.69 g/mol.

How many hydrogen bond acceptors does N-butyl-3-methylpyridinium chloride have?

N-butyl-3-methylpyridinium chloride has 1 hydrogen bond acceptor.

What is the exact mass of N-butyl-3-methylpyridinium chloride?

The exact mass of N-butyl-3-methylpyridinium chloride is 185.0971272 g/mol.

Is N-butyl-3-methylpyridinium chloride a canonicalized compound?

Yes, N-butyl-3-methylpyridinium chloride is a canonicalized compound.

What is the topological polar surface area of N-butyl-3-methylpyridinium chloride?

The topological polar surface area of N-butyl-3-methylpyridinium chloride is 3.9?2.

How many heavy atoms does N-butyl-3-methylpyridinium chloride contain?

N-butyl-3-methylpyridinium chloride contains 12 heavy atoms.

Does N-butyl-3-methylpyridinium chloride have any defined atom stereocenters?

No, N-butyl-3-methylpyridinium chloride does not have any defined atom stereocenters.

Synthetic Use

Upstream Synthesis Route 1

• 108-99-6
• 109-69-3

• 125652-55-3

Reference: [1]Physical Chemistry Chemical Physics,2018,vol. 20,p. 11470 - 11480
[2]Patent: EP1584617,2005,A1 .Location in patent: Page/Page column 5
[3]Russian Journal of General Chemistry,2012,vol. 82,p. 1994 - 1998
Zh. Obshch. Khim.,2012,vol. 82,p. 2040 - 2045,6
[4]Thermochimica Acta,2013,vol. 568,p. 185 - 188

Downstream Synthesis Route 1

• 125652-55-3
• 1934-75-4

• 712355-12-9

Reference: [1]Patent: EP1584617,2005,A1 .Location in patent: Page/Page column 5

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