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Methylene blue

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Identification
Molecular formula
C16H18N3SCl
CAS number
61-73-4
IUPAC name
benzyl-[3-[[4-[3-[benzyl(diethyl)ammonio]propylamino]-3,6-dioxo-cyclohexa-1,4-dien-1-yl]amino]propyl]-diethyl-ammonium
State
State

At room temperature, methylene blue is typically a solid in the form of powder or crystals. It is stable and does not react readily with most substances in its solid state.

Melting point (Celsius)
190.00
Melting point (Kelvin)
463.00
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.00
General information
Molecular weight
319.85g/mol
Molar mass
319.8520g/mol
Density
1.4400g/cm3
Appearence

Methylene blue appears as a dark green powder or crystalline solid at room temperature. When dissolved in water, it shows a characteristic deep blue color. It may also come in the form of a solution, often used as a dye.

Comment on solubility

Solubility of Benzyl-[3-[[4-[3-[benzyl(diethyl)ammonio]propylamino]-3,6-dioxo-cyclohexa-1,4-dien-1-yl]amino]propyl]-diethyl-ammonium

The solubility of benzyl-[3-[[4-[3-[benzyl(diethyl)ammonio]propylamino]-3,6-dioxo-cyclohexa-1,4-dien-1-yl]amino]propyl]-diethyl-ammonium can be quite complex due to its multifaceted structure and ionic characteristics. Here are a few key points to consider:

  • Polar vs. Non-Polar: This compound features both polar (ionic) and non-polar (hydrocarbon) parts, suggesting it may exhibit varying solubilities in different solvents.
  • Water Solubility: Given the presence of the diethylammonium group, which is charged, it is likely to be more soluble in water compared to non-polar solvents.
  • Organic Solvents: The extensive aromatic and aliphatic regions may also lead to reasonable solubility in organic solvents such as ethanol or dimethyl sulfoxide (DMSO).
  • Temperature Dependence: As with many ionic compounds, solubility may increase with temperature, suggesting that heating the solution could facilitate dissolution.

In conclusion, while the solubility of benzyl-[3-[[4-[3-[benzyl(diethyl)ammonio]propylamino]-3,6-dioxo-cyclohexa-1,4-dien-1-yl]amino]propyl]-diethyl-ammonium is influenced by several structural factors, its ionic nature strongly favors its solubility in polar solvents. Conducting empirical solubility tests in various conditions will yield the most accurate insights into its behavior.

Interesting facts

Interesting Facts about Benzyl-[3-[[4-[3-[benzyl(diethyl)ammonio]propylamino]-3,6-dioxo-cyclohexa-1,4-dien-1-yl]amino]propyl]-diethyl-ammonium

This compound is a fascinating example of a complex quaternary ammonium salt, which showcases the interplay between various functional groups and their biological significance. Here are some remarkable aspects of this compound:

  • Unique Structure: The compound features an intricate structure that includes a diethylammonium group, which is significant for its ionization properties. This ionic nature can enhance its solubility and reactivity in biological systems.
  • Potential Applications: Quaternary ammonium compounds like this one are often studied for their potential in drug design and as antimicrobial agents due to their ability to disrupt cell membranes. Studies have shown that they can be effective against a range of pathogens.
  • Biological Activity: The combination of the benzyl and diethylammonium groups can contribute to enhanced interaction with biological targets, potentially leading to innovative therapeutic strategies in treating diseases, particularly in cancer and antimicrobial research.
  • Complexity: The presence of a cyclohexa-1,4-diene moiety adds an intriguing dimension to the compound, as it can undergo various chemical transformations, further expanding its utility in synthetic chemistry.
  • Interdisciplinary Study: This compound serves as a bridge between organic chemistry and pharmacology, prompting a multidisciplinary approach to understand its properties, reaction mechanisms, and interactions with biological systems.

Researchers continue to explore the myriad possibilities of such complex compounds, paving the way for breakthroughs in medicinal chemistry. As they say in science, “Every compound has its story.” What will this one reveal?

Synonyms
Benzoquinonium
9025-57-4
Xylanase, endo-1,4-b-
Pentosanase
7554-16-7
T91WJ82JOZ
benzyl-[3-[[4-[3-[benzyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium
benzyl({3-[(4-{[3-(benzyldiethylazaniumyl)propyl]amino}-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]propyl})diethylazanium
UNII-T91WJ82JOZ
benzyl((3-((4-((3-(benzyldiethylazaniumyl)propyl)amino)-3,6-dioxocyclohexa-1,4-dien-1-yl)amino)propyl))diethylazanium
benzoquinonium-dibromide
Tocris-0424
BENZOQUINONIUM ION
BENZOQUINONIUM CATION
Endo-1,4-.beta.-xylanase
1,4-b-D-Xylan xylanohydrolase
311-09-1 (di-Chloride)
CHEMBL1358790
SCHEMBL12648552
DTXSID60997003
CHEBI:173301
YERABYSOHUZTPQ-UHFFFAOYSA-P
DTXSID901010936
EINECS 232-800-2
NCGC00024582-01
NCGC00163229-01
E.C. 3.2.1.8
BRD-K18772613-303-02-4
Q27289827
9068-42-2
Benzenemethanaminium, N,N'-((3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(imino-3,1-propanediyl))bis(N,N-diethyl-
N,N'-((3,6-DIOXO-1,4-CYCLOHEXADIENE-1,4-DIYL)BIS(IMINO-3,1-PROPANEDIYL))BIS(N,N-DIETHYLBENZENEMETHANAMINIUM
N~1~,N~4~-Bis{3-[benzyl(diethyl)azaniumyl]propyl}-3,6-bis(oxidaniumylidene)cyclohexa-1,4-diene-1,4-bis(aminide)