N-butylpyridinium chloride

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CAS
1124-64-7
Size
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Purity
≥99%
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Catalog Number

ACM1124647

Product Name

N-butylpyridinium chloride

Structure

Structure

CAS

1124-64-7

Category

Pyridinium Ionic Liquids

IUPAC Name

1-butylpyridin-1-ium;chloride

Molecular Weight

171.67g/mol

Molecular Formula

C9H14ClN

Canonical SMILES

CCCC[N+]1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C9H14N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1

InChI Key

POKOASTYJWUQJG-UHFFFAOYSA-M

Abbreviation

BpyCl

Chemical Formula

BpyCl

Complexity

74.8

Covalently-Bonded Unit Count

2

EC Number

620-019-3

Exact Mass

171.081477g/mol

Formal Charge

0

H-Bond Acceptor

1

H-Bond Donor

0

Heavy Atom Count

11

Monoisotopic Mass

171.081477g/mol

Rotatable Bond Count

3

UNII

F8M63J351A

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of N-butylpyridinium chloride?

The molecular formula of N-butylpyridinium chloride is C9H14ClN.

What are some synonyms for N-butylpyridinium chloride?

Some synonyms for N-butylpyridinium chloride include 1-Butylpyridinium Chloride, n-Butylpyridinium chloride, and Butylpyridinium chloride.

When was N-butylpyridinium chloride created in PubChem?

N-butylpyridinium chloride was created in PubChem on July 19, 2005.

What is the molecular weight of N-butylpyridinium chloride?

The molecular weight of N-butylpyridinium chloride is 171.67 g/mol.

What is the IUPAC name of N-butylpyridinium chloride?

The IUPAC name of N-butylpyridinium chloride is 1-butylpyridin-1-ium;chloride.

What is the Canonical SMILES representation of N-butylpyridinium chloride?

The Canonical SMILES representation of N-butylpyridinium chloride is CCCC[N+]1=CC=CC=C1.[Cl-].

What is the CAS number for N-butylpyridinium chloride?

The CAS number for N-butylpyridinium chloride is 1124-64-7.

What is the topological polar surface area of N-butylpyridinium chloride?

The topological polar surface area of N-butylpyridinium chloride is 3.9 Å².

How many hydrogen bond acceptors does N-butylpyridinium chloride have?

N-butylpyridinium chloride has 1 hydrogen bond acceptor.

Is the compound N-butylpyridinium chloride canonicalized?

Yes, the compound N-butylpyridinium chloride is canonicalized.

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