(N-HEXYL)TRIMETHYLAMMONIUM BROMIDE

Name: (N-HEXYL)TRIMETHYLAMMONIUM BROMIDE
Brand: BOC Sciences
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Molecular Formula:

C9H22BrN

Molecular Weight:

224.18

CAS Number:

2650-53-5

Catalog Number:

2650-53-5

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

Canonical 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.

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

223.09356 g/mol

Monoisotopic Mass

223.09356 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

71.3

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-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)