Benzyldimethyltetradecylammonium chloride

Product Information

Molecular Formula:
C23H42ClN
Molecular Weight:
368.039
Description
One of the impurities of Zephirol, a quaternary ammonium compound, has been found to be effective in the treatment of herpes, hepatitis and other infections.
Synonyms
TDBAC; 1427; barquatmb50; barquatms100; arquaddm14b-90
IUPAC Name
benzyl-dimethyl-tetradecylazanium;chloride
Canonical SMILES
CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
InChI
InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H31H/q+1/p-1
InChI Key
OCBHHZMJRVXXQK-UHFFFAOYSA-M
Melting Point
56-62°C
Purity
0.99
Solubility
Solubility in water: >1,000 mg/L /Alkyl(C=10-14) benzyldimethylammonium chloride/
Appearance
White powder
Application
Used as a surfactant, detergent, deodorizer, and germicide/biocide (food products and services, industrial plants, hospitals, farms, swimming pools, and cooling towers); Also used as a medication; Also used as a wood preservative.
Storage
2-8°C
Stability
Stable under recommended storage conditions.
LogP
3.9681
Vapor Pressure
3.6X10-10 mm Hg at 25 °C (est)
Henry's Law Constant
1.3X10-11 atm-cu m/mol at 25 °C (est)
Decomposition
When heated to decomposition it emits very toxic fumes of /nitrogen oxides and hydrogen chloride.

Safety Information

Hazards
H301:
Toxic if swallowed.
H312+H332:
Harmful in contact with skin.
Harmful if inhaled.
H314:
Causes severe skin burns and eye damage.
H400:
Very toxic to aquatic life.
Precautionary Statement
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310+P330:
IF SWALLOWED:
Immediately call a POISON CENTER or doctor/physician.
Rinse mouth.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
P391:
Collect spillage.

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
15
Exact Mass
367.3005780 g/mol
Monoisotopic Mass
367.3005780 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
265
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113980467-A Conductive composite PPS material and preparation method thereof 2021-12-17
CN-114083865-A Polyester film for five-layer dry film resist and preparation method thereof 2021-12-04
CN-113980751-A Washable long-acting antibacterial fabric care agent composition 2021-11-22
CN-113980749-A Liquid detergent composition 2021-11-19
CN-113698998-A Stable detergent composition with antibacterial effect 2021-09-26
CN-113789669-A Washable cold-proof breathable fabric and preparation method thereof 2021-09-17
DE-102021124147-A1 Synthetic resin material and method for producing a milling blank for medical-technical molded parts 2021-09-17
CN-113984912-A Method for detecting benzalkonium chloride in disinfection product 2021-09-02
CN-113666680-A Concrete slurry and preparation method thereof 2021-08-31
CN-113813287-A Preparation method of compound medicinal liquid for treating verruca vulgaris 2021-08-27

Literatures

PMID Publication Date Title Journal
22563942 2012-08-01 The influence of nonconjugative Escherichia coli plasmids on biofilm formation and resistance Journal of applied microbiology
21195609 2011-02-01 Biosorption of tetradecyl benzyl dimethyl ammonium chloride on activated sludge: kinetic, thermodynamic and reaction mechanisms Bioresource technology
21628907 2011-01-01 Spectrophotometric determination of cobalt(II) and cyanocobalamin with vanillilfluorone and its applications Chemical & pharmaceutical bulletin
20631439 2010-01-01 Collection of indonaphthol blue on a membrane filter for the spectrophotometric determination of ammonia with 1-naphthol and dichloroisocyanurate Analytical sciences : the international journal of the Japan Society for Analytical Chemistry
19877666 2009-11-26 Molecular mechanism and chemical kinetic description of nitrobenzene liquid membrane oscillator containing benzyldimethyltetradecylammonium chloride surfactant The journal of physical chemistry. B
18297187 2008-04-01 Intrinsic denervation of the colon is associated with a decrease of some colonic preneoplastic markers in rats treated with a chemical carcinogen Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas
16959536 2007-06-01 Study of the sensitization of tetradecyl benzyl dimethyl ammonium chloride for the color development reaction between lysine and sodium 1,2-naphthoquinone-4-sulfonate and the determination of lysine in pharmaceutical and biological samples Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
17112660 2007-06-01 Removal of phenol and 4-chlorophenol by surfactant-modified natural zeolite Journal of hazardous materials
17386539 2007-01-30 Study of the sensitization of tetradecyl benzyl dimethyl ammonium chloride for spectrophotometric determination of dopamine hydrochloride using sodium 1,2-naphthoquinone-4-sulfonate as the chemical derivative chromogenic reagent Analytica chimica acta
16856758 2006-05-01 Determination of a cationic surfactant with naphthalene black 12B by the resonance light scattering technique Annali di chimica
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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