N-butyl-4-metylpyridinium bromide

• CAS: 65350-59-6
• Catalog Number: ACM65350596-1
• Category: Pyridinium Ionic Liquids
• Molecular Weight: 230.14g/mol
• Molecular Formula: C10H16BrN
• IUPAC Name: 1-butyl-4-methylpyridin-1-ium;bromide
• Canonical SMILES: CCCC[N+]1=CC=C(C=C1)C.[Br-]
• InChI: InChI=1S/C10H16N.BrH/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: UWVZAZVPOZTKNM-UHFFFAOYSA-M
• Abbreviation: B4MePyBr
• Chemical Formula: B4MePyBr
• Complexity: 93
• 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-4-metylpyridinium bromide?

The molecular formula is C10H16BrN.

When was N-butyl-4-metylpyridinium bromide created and modified?

It was created on 2007-02-08 and modified on 2023-12-30.

What is the IUPAC Name of N-butyl-4-metylpyridinium bromide?

The IUPAC Name is 1-butyl-4-methylpyridin-1-ium;bromide.

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

The InChIKey is UWVZAZVPOZTKNM-UHFFFAOYSA-M.

How many hydrogen bond donor counts does N-butyl-4-metylpyridinium bromide have?

It has 0 hydrogen bond donor counts.

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

The exact mass is 229.04661 g/mol.

How many covalently-bonded unit counts does N-butyl-4-metylpyridinium bromide have?

It has 2 covalently-bonded unit counts.

What is the topological polar surface area of N-butyl-4-metylpyridinium bromide?

The topological polar surface area is 3.9 Å^2.

How many defined atom stereocenter count does N-butyl-4-metylpyridinium bromide have?

It has 0 defined atom stereocenter count.

Is N-butyl-4-metylpyridinium bromide compound canonicalized?

Yes, it is canonicalized according to PubChem.