Structure

N-butylpyridinium chloride

CAS
1124-64-7
Catalog Number
ACM1124647
Category
Pyridinium Ionic Liquids
Molecular Weight
171.67g/mol
Molecular Formula
C9H14ClN

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Specification

IUPAC Name
1-butylpyridin-1-ium;chloride
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
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 Ų.

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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