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Cetrimonium bromide

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Identification
Molecular formula
C19H42BrNO2
CAS number
57-09-0
IUPAC name
diethyl-methyl-[2-(3-methyl-2-phenyl-pentanoyl)oxyethyl]ammonium;bromide
State
State

This compound is typically found as a solid at room temperature.

Melting point (Celsius)
238.00
Melting point (Kelvin)
511.15
Boiling point (Celsius)
360.00
Boiling point (Kelvin)
633.15
General information
Molecular weight
364.46g/mol
Molar mass
364.4620g/mol
Density
1.0009g/cm3
Appearence

Cetrimonium bromide appears as a white to off-white crystalline powder. It is usually hygroscopic and may appear as flakes or granules depending on its preparation and handling. The powder is known for its surfactant properties, which is why it is commonly used in hair conditioners and shampoos.

Comment on solubility

Solubility of Diethyl-methyl-[2-(3-methyl-2-phenyl-pentanoyl)oxyethyl]ammonium Bromide

The solubility of the compound diethyl-methyl-[2-(3-methyl-2-phenyl-pentanoyl)oxyethyl]ammonium bromide can be influenced by various factors, including its ionic nature, the structure of its hydrophilic and hydrophobic components, and the solvent used for dissolution.

Key Considerations

  • Ionic Character: As a quaternary ammonium salt, this compound is likely to be soluble in polar solvents due to its ionic bromide component.
  • Hydrophobic Moieties: The presence of aromatic and bulky aliphatic groups can contribute to hydrophobic interactions, potentially decreasing solubility in purely aqueous environments.
  • Temperature Effects: Elevated temperatures usually enhance solubility for many salts, so heat may aid in dissolving this compound effectively.

In summary, while this compound's ionic nature suggests decent solubility in water, the presence of hydrophobic groups may limit its solubility in polar solvents. It is often useful to test solubility in various solvents to fully understand its behavior. Understanding these factors can aid chemists in predicting how this compound will behave in different environments or applications.

Interesting facts

Interesting Facts about Diethyl-Methyl-[2-(3-Methyl-2-Phenyl-Pentanoyl)Oxyethyl]ammonium Bromide

Diethyl-methyl-[2-(3-methyl-2-phenyl-pentanoyl)oxyethyl]ammonium bromide is a fascinating compound with significant applications in various fields, including pharmaceuticals and medicinal chemistry. Here are some intriguing facts about this compound:

  • Quaternary Ammonium Salt: This compound belongs to the class of quaternary ammonium salts, which are widely recognized for their antimicrobial properties. They serve as effective agents in disinfectants and antiseptics.
  • Hydrophobic and Hydrophilic Balance: The structure of diethyl-methyl-[2-(3-methyl-2-phenyl-pentanoyl)oxyethyl]ammonium bromide gives it both hydrophobic and hydrophilic characteristics, making it an excellent candidate for drug delivery systems. This amphiphilic nature allows it to interact with biological membranes effectively.
  • Potential in Drug Development: Researchers are exploring its ability to enhance the solubility of poorly soluble drugs, which can lead to improved bioavailability. The incorporation of such compounds might revolutionize the way certain medications are formulated.
  • Structure-Activity Relationship: The unique molecular framework, with substituents like the 3-methyl-2-phenyl-pentanoyl group, plays a crucial role in defining the compound's biological activity, offering a rich area for exploration in medicinal chemistry.
  • Safety Considerations: Like many quaternary ammonium compounds, safety data is essential, as they can exhibit toxicity at certain doses. Detailed studies are conducted to assess the compound's safety profile for pharmaceutical use.

This compound represents a blend of unique chemical properties and potential applications, making it a subject of interest for chemists and pharmacologists alike. As research continues, we can expect to uncover more about its capabilities and implications in modern science.

Synonyms
valethamate bromide
90-22-2
Epidosin
Resitan
Ediposin
Epidozin
Murel
Valethamate (bromide)
Valethamate bromide [JAN]
Shinmetane (TN)
EINECS 201-977-8
Valethamate bromide [JAN:NF]
6XFR940M2A
Diethyl(methyl)(2-(3-methyl-2-phenylvaleryloxy)ethyl)ammonium bromide
N,N-Diethyl-N-methyl-2-((3-methyl-2-phenylpentanoyl)oxy)ethanaminium bromide
2-Diethylaminoethyl 2-phenyl-3-methylvalerate methyl bromide
Valethamate bromide (JAN)
3-Methyl-2-phenylvaleric acid 2-diethylaminoethyl ester methyl bromide
Diethyl(2-hydroxyethyl)methylammonium 3-methyl-2-phenylvalerate bromide
2-Diethylaminoethyl 3-methyl-2-phenylvalerate methylbromide
DTXSID5049027
VALETHAMATE BROMIDE [MI]
Diethyl(2-hydroxyethyl)methyl-ammonium bromide 3-methyl-2-phenylvalerate
diethyl(methyl){2-[(3-methyl-2-phenylpentanoyl)oxy]ethyl}azanium bromide
diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium;bromide
VALETHAMATE BROMIDE [MART.]
3-Methyl-2-phenylvaleric acid diethyl(2-hydroxyethyl)methylammonium bromide ester
N,N-Diethyl-N-methyl-2-[(3-methyl-1-oxo-2-phenylpentyl)oxy]ethanaminium bromide
Phenylmethylvaleriansaeure-beta-diaethylaminoaethylester-brommethylat [German]
VALETHAMATE BROMIDE [WHO-DD]
Valeric acid, 3-methyl-2-phenyl-, ester with diethyl(2-hydroxyethyl)methylammonium bromide
Phenylmethylvaleriansaeure-beta-diaethylaminoaethylester-brommethylat
Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-methyl-2-phenylvalerate
Ethanaminium, 2-((3-methyl-2-phenylvaleryl)oxy)-N,N-diethyl-N-methyl-, bromide
N,N-Diethyl-N-methyl-2-(3-methyl-2-phenylvaleryloxy)ethylammonium bromide
3-methyl-2-phenylvaleric acid diethyl(3-hydroxyethyl)methylammonium bromide ester
VALETHAMATE BROMIDE (MART.)
Diethylmethyl(2-3-methyl-2-phenylvaleryloxy)-ethyl)ammonium bromide
ValethamateBromide
2-PHENYL-3-METHYLVALERIC ACID .BETA.-(DIETHYLAMINO)ETHYL ESTER BROMOMETHYLATE
N,N-DIETHYL-N-METHYL-2-((3-METHYL-1-OXO-2-PHENYLPENTYL)OXY)ETHANAMINIUM BROMIDE
N,N-Diethyl-N-methyl-2-((3-methyl-2-phenylpentanoyl)oxy)ethan-1-aminium bromide
ETHANAMINIUM, N,N-DIETHYL-N-METHYL-2-((3-METHYL-1-OXO-2-PHENYLPENTYL)OXY)-, BROMIDE (1:1)
N,N-Diethyl-N-methyl-2-((3-methyl-1-oxo-2-phenylpent yl)oxy)ethanaminium
NCGC00185757-01
UNII-6XFR940M2A
Shinmetane
N,N-diethyl-N-methyl-2-[(3-methyl-2-phenylpentanoyl)oxy]ethanaminium bromide
MFCD00031617
MLS006010085
SCHEMBL249506
CHEMBL2107687
DTXCID0028953
CHEBI:32288
CEJGGHKJHDHLAZ-UHFFFAOYSA-M
HMS3886O09
HY-B2112
Tox21_113553
AKOS015902836
N,N-Diethyl-N-methyl-2-((3-methyl-2-phenylpentanoyl)-oxy)ethanaminium bromide
N-[2-(2-Methyl-1-phenylbutylcarbonyloxy)ethyl]diethylmethylammonium Bromide
FV33990
CAS-90-22-2
AC-19311
AS-14890
SMR004701230
DB-057189
CS-0020258
NS00079188
V0063
A12927
D01538
SR-01000883681
Q4007939
SR-01000883681-1
Z2242062099
2-PHENYL-3-METHYLVALERIC ACID BETA-(DIETHYLAMINO)ETHYL ESTER BROMOMETHYLATE
Ethanaminium, 2-((3-methyl-2-phenylvaleryl)oxy)-N,N-diethyl-N-methyl-, bromide (9CI)