(N-HEXYL)TRIMETHYLAMMONIUM BROMIDE
Product Information
Molecular Formula
C9H22BrN
Molecular Weight
224.18
Description
(N-Hexyl)trimethylammonium Bromide is a quaternary ammonium compound widely used as phase transfer catalyst in medicinal chemistry. Its antibacterial properties contribute to the development of therapeutic drugs for various bacterial diseases, which is of great significance for the research of new drugs.
Synonyms
(N-HEXYL)TRIMETHYLAMMONIUM BROMIDE; HEXYLTRIMETHYLAMMONIUM BROMIDE; (1-Hexyl)trimethylammonium bromide; (N-HEXYL)TRIMETHYLAMMONIUM BROMIDE 98+%; Hexyltrimethylaminium·bromide; Trimethylhexylaminium·bromide
IUPAC Name
hexyl(trimethyl)azaniumbromide
SMILES
CCCCCC[N+](C)(C)C.[Br-]
InChI
InChI=1S/C9H22N.BrH/c1-5-6-7-8-9-10(2,3)4/h5-9H2,1-4H31H/q+1/p-1
InChI Key
JYVPKRHOTGQJSE-UHFFFAOYSA-M
Melting Point
185 °C
Purity
>98.0%(T)(HPLC)
Appearance
White to Almost white powder to crystal
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
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].
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
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
5
Exact Mass
223.09356 g/mol
Monoisotopic Mass
223.09356 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
71.3
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-114177310-A | Multifunctional anticancer nano material based on polypeptide-rare earth nanocrystalline and preparation method thereof | 2021-11-18 |
| CN-114163641-A | Ammonium polybenzimidazole and alkaline ion exchange membrane thereof, and preparation method and application of ionomer | 2021-11-12 |
| CN-113889609-A | Nitrogen-doped silicon oxide/zinc oxide/graphite/carbon composite negative electrode material and preparation method thereof | 2021-09-27 |
| CN-113629199-A | Pretreatment method for improving interface passivation effect of perovskite solar cell | 2021-09-02 |
| CN-113193126-A | Preparation method for realizing surface reconstruction of non-methylamine perovskite thin film and application thereof | 2021-04-08 |
| WO-2022044589-A1 | Light reception/emission element, and electronic device and biological sensing device using same | 2020-08-31 |
| JP-2022027575-A | Compounds, hole transport materials for photoelectric conversion elements, and photoelectric conversion elements and solar cells using them. | 2020-07-30 |
| JP-2022018228-A | Silicone polymer and its manufacturing method | 2020-07-15 |
| JP-2021170599-A | Organic solar cells | 2020-04-16 |
| JP-2021163911-A | Tandem photovoltaic elements and photoelectric conversion devices | 2020-04-02 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 18646032 | 2008-01-01 | Observation of electrochemical single-electron-transfer events of gold nanoparticles in aqueous solution in the presence of both ammonium and sulfonate surface-active agents | Angewandte Chemie (International ed. in English) |
