N-butyl-3-metylpyridinium bromide

• CAS: 26576-85-2
• Catalog Number: ACM26576852
• Category: Pyridinium Ionic Liquids
• Molecular Weight: 230.14g/mol
• Molecular Formula: C10H16BrN
• IUPAC Name: 1-butyl-3-methylpyridin-1-ium;bromide
• Canonical SMILES: CCCC[N+]1=CC=CC(=C1)C.[Br-]
• InChI: InChI=1S/C10H16N.BrH/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: GNPWBXOERPGDFI-UHFFFAOYSA-M
• Abbreviation: B3MePyBr
• Chemical Formula: B3MePyBr
• Complexity: 101
• Covalently-Bonded Unit Count: 2
• Exact Mass: 229.04661g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 12
• Monoisotopic Mass: 229.04661g/mol
• Rotatable Bond Count: 3

Custom Q&A

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

The molecular formula of N-butyl-3-methylpyridinium bromide is C10H16BrN.

When was N-butyl-3-methylpyridinium bromide created in PubChem?

N-butyl-3-methylpyridinium bromide was created in PubChem on February 7, 2007.

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

The molecular weight of N-butyl-3-methylpyridinium bromide is 230.14 g/mol.

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

Some synonyms for N-butyl-3-methylpyridinium bromide include 1-Butyl-3-methylpyridinium Bromide and N-BUTYL-3-METHYLPYRIDINIUM BROMIDE.

What are the component compounds of N-butyl-3-methylpyridinium bromide?

The component compounds of N-butyl-3-methylpyridinium bromide are Hydrobromic Acid and 1-Butyl-3-methylpyridinium.

What is the InChIKey of N-butyl-3-methylpyridinium bromide?

The InChIKey of N-butyl-3-methylpyridinium bromide is GNPWBXOERPGDFI-UHFFFAOYSA-M.

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

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

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

The topological polar surface area of N-butyl-3-methylpyridinium bromide is 3.9 Å^2.

How many covalently-bonded units does N-butyl-3-methylpyridinium bromide have?

N-butyl-3-methylpyridinium bromide has 2 covalently-bonded units.

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

Yes, N-butyl-3-methylpyridinium bromide is a canonicalized compound in PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 109-65-9
• 108-99-6

• 26576-85-2

Reference: [1] Physical Chemistry Chemical Physics, 2018, vol. 20, # 16, p. 11470 - 11480

Upstream Synthesis Route 2

• 109-65-9
• 108-99-6

• 26576-85-2

Reference: [1]Physical Chemistry Chemical Physics,2018,vol. 20,p. 11470 - 11480

Downstream Synthesis Route 1

• 26576-85-2

• 1127422-65-4

Reference: [1]Tetrahedron Letters,2009,vol. 50,p. 1007 - 1009
[2]Physical Chemistry Chemical Physics,2018,vol. 20,p. 11470 - 11480
[3]Journal of the Chemical Society of Pakistan,2012,vol. 34,p. 479 - 484

Downstream Synthesis Route 2

• 26576-85-2
• 142-31-4

• 1173828-03-9

Reference: [1]Green Chemistry,2009,vol. 11,p. 83 - 90

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