Zephirol Related Compound 3
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
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.
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.
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
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
19
Exact Mass
423.3631783 g/mol
Monoisotopic Mass
423.3631783 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
316
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-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 |
