1-N-Hexadecyl-4-methylpyridinium chloride hydrate

Inquiry

Molecular Formula:

C22H40ClN

Molecular Weight:

372.03

CAS Number:

13106-53-1

Catalog Number:

13106-53-1

Product Information

Molecular Formula:

C22H40ClN

Molecular Weight:

372.03

Description

1-N-Hexadecyl-4-methylpyridinium chloride hydrate is a biochemical often utilized in the pharmaceutical industry. Its primary use is in the manufacture of drugs treating bacterial infections due to its antimicrobial properties, disrupting harmful bacterial cell membranes.

Synonyms

1-N-HEXADECYL-4-METHYLPYRIDINIUM CHLORIDE HYDRATE; 1-hexadecyl-4-methyl-pyridiniuchloride; 1-n-Hexadecyl-4-methylpyridinium chloride; Hexadecylmethylpyridiniumchloride, hydrate; 1-Hexadecyl-4-methylpyridinium Chloride Hydrate; 1-Hexadecyl-4-methylpyridinium C

IUPAC Name

1-hexadecyl-4-methylpyridin-1-iumchloride

Canonical SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C.O.[Cl-]

InChI

InChI=1S/C22H40N.ClH.H2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20-17-22(2)18-21-23;;/h17-18,20-21H,3-16,19H2,1-2H3;1H;1H2/q+1;;/p-1

InChI Key

MSGYFUKIEVMGOZ-UHFFFAOYSA-M

Purity

95%

Appearance

White to Orange to Green powder to crystal

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

353.2849280 g/mol

Monoisotopic Mass

353.2849280 g/mol

Topological Polar Surface Area

3.9Å²

Heavy Atom Count

Formal Charge

Complexity

230

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Concentration _(final)

Volume _(final)

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1-N-Hexadecyl-4-methylpyridinium chloride hydrate

Product Information

Computed Properties

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