Zephirol Related Compound 3

Inquiry

Molecular Formula:

C27H50N.Cl

Molecular Weight:

424.15

CAS Number:

122-19-0

Catalog Number:

122-19-0

Product Information

Molecular Formula:

C27H50N.Cl

Molecular Weight:

424.15

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

N,N-Dimethyl-N-octadecylbenzenemethanaminium Chloride; Benzyldimethyloctadecylammonium Chloride; Algene SC 25; Carsoquat SDQ 25; Stebac; Triton CG 500; Varisoft SDC

IUPAC Name

benzyl-dimethyl-octadecylazanium;chloride

Canonical SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27/h19-21,23-24H,4-18,22,25-26H2,1-3H31H/q+1/p-1

InChI Key

SFVFIFLLYFPGHH-UHFFFAOYSA-M

Boiling Point

100°C

Melting Point

52-55 °C

Flash Point

94°C

Purity

>98.0%(T)

Density

0.98

Solubility

less than 1 mg/mL at 70 °F

Appearance

Off-White Solid

Application

Used as a cationic surfactant, wetting agent, emulsifier, germicide, fungicide, disinfectant, and slimicide; Used in industrial cleaners, emulsion polymerization processes, paper and textile processing, hair colors and conditioners (softener), lipsticks and lotions (emollient), textiles (softener), hair sprays (antistatic agent), and contraceptive formulations; Quaternary ammonium compounds are also used as algaecides/slimicides (swimming pools, industrial water reservoirs, and farm ponds), antiseptics for cleaning wounds, antistatic agents for textiles, softeners for paper products, and pigment dispersers.

Storage

Refrigerator

LogP

log Kow= 3.23

Decomposition

When heated to decomposition it emits very toxic fumes of /nitrogen oxides and hydrogen chloride.

Safety Information

Hazards

H302:
Harmful if swallowed.
H318:
Causes serious eye damage.

Precautionary Statement

P264:
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312+P330:
IF SWALLOWED:
Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
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.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

423.3631783 g/mol

Monoisotopic Mass

423.3631783 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

316

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

Patents

Publication Number	Title	Priority Date
CN-114044994-A	Flexible buffer material and preparation method and application thereof	2022-01-13
CN-113980615-A	Functional composition for melamine adhesive layer and manufacturing method thereof	2021-12-28
JP-2022031399-A	Transparent compositions and transparent cosmetics	2021-12-23
JP-2022040133-A	A photosensitive coloring composition for a color filter for a solid-state image sensor, a color filter, and a solid-state image sensor using the same.	2021-12-15
CN-114106774-A	Preparation and application of strong-permeability and moisture-increasing material for coal seam water injection	2021-12-02
CN-113956489-A	Modified epoxy emulsifier, preparation method thereof and self-modified epoxy emulsion	2021-11-25
CN-113800533-A	Preparation method of organic clay compound	2021-10-29
CN-114177198-A	Nano-gold antibacterial agent and preparation method and application thereof	2021-10-29
CN-114149874-A	Aerosol detergent based on ionic liquid and preparation method thereof	2021-10-19
CN-113817044-A	T cell receptor, related engineered cell and application thereof	2021-10-14

Literatures

PMID	Publication Date	Title	Journal
17368471	2007-07-01	Adsorption of zearalenone by organomodified natural zeolitic tuff	Journal of colloid and interface science
16198090	2005-11-25	Adsorption of mycotoxins by organozeolites	Colloids and surfaces. B, Biointerfaces

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