Cetyltrimethylammonium hydrogensulfate

Inquiry

Molecular Formula:

C19H42N.HSO4

Molecular Weight:

381.61

CAS Number:

68214-07-3

Catalog Number:

68214-07-3

Product Information

Molecular Formula:

C19H42N.HSO4

Molecular Weight:

381.61

Description

Cetyltrimethylammonium hydrogensulfate is a renowned biomedicine chemical extensively employed within the pharmaceutical industry. It exhibits its potent effectiveness as an active constituent across diverse medications and therapies. Its profound utilization thrives in drug formulations specifically tailored to counter infections inflicted by an array of microorganisms encompassing bacteria and fungi. Thus, this compound's undeniable antimicrobial prowess unequivocally renders it a compelling combatant against such afflictions.

Synonyms

CETYLTRIMETHYLAMMONIUM HYDROGENSULFATE; HEXADECYLTRIMETHYLAMMONIUM HYDROGEN SULFATE; Hexadecyltrimethylammonium hydrogensulphate; n,n,n-trimethyl-1-hexadecanaminiusulfate(1:1); Hexadecyltrimethylammonium bisulfate; HEXADECYLTRIMETHYLAMMONIUM HYDROGEN- &; HEX

IUPAC Name

hexadecyl(trimethyl)azaniumhydrogen sulfate

Canonical SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C19H42N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)41-5(2,3)4/h5-19H2,1-4H3(H2,1,2,3,4)/q+1/p-1

InChI Key

UCRJJNVFJGKYQT-UHFFFAOYSA-M

Melting Point

250-260°C

Purity

95%

Appearance

White powder and/or chunks

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

381.29128003 g/mol

Monoisotopic Mass

381.29128003 g/mol

Topological Polar Surface Area

85.8Å²

Heavy Atom Count

Formal Charge

Complexity

257

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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Cetyltrimethylammonium hydrogensulfate

Product Information

Safety Information

Computed Properties

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