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Brilliant Blue FCF

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Identification
Molecular formula
C27H34N2O4
CAS number
5413-75-2
IUPAC name
2-[4-[4-(2-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethyl-morpholin-4-ium-2-ol;dibromide
State
State

At room temperature, it is typically a solid powder, often slightly hygroscopic. Its structural stability allows it to remain solid under normal conditions.

Melting point (Celsius)
285.00
Melting point (Kelvin)
558.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
382.27g/mol
Molar mass
382.2730g/mol
Density
1.6200g/cm3
Appearence

It appears as a solid with variations from a red-brown color to deep blue shade. The compound is usually found as a salt form like the dibromide version, exhibiting bright colors.

Comment on solubility

Solubility of 2-[4-[4-(2-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethyl-morpholin-4-ium-2-ol; dibromide

The solubility of this complex compound, which contains multiple morpholinium groups, can be intriguing due to its structural characteristics. The presence of hydroxyl groups typically enhances solubility in polar solvents, making it likely to dissolve well in water and other polar solvents. However, the overall solubility profile may also be influenced by the dibromide component, which could affect the compound's interaction with various solvents.

Several factors contribute to its solubility behavior:

  • Polarity: The hydroxyl and morpholinium groups introduce significant polarity, generally promoting solubility in polar solvents.
  • Hydrogen bonding: The presence of the hydroxyl group allows for possible hydrogen bonding with other polar molecules, enhancing solubility.
  • Size and structure: The bulkiness and steric hindrance from the 4,4-dimethyl groups may limit the solubility in certain non-polar solvents due to the steric effects.

In conclusion, while this compound is expected to be soluble in polar solvents, its solubility in non-polar media may be significantly hindered. The balance between its polar and non-polar characteristics creates a unique solubility profile that is important for formulation and application considerations.

Interesting facts

Interesting Facts about 2-[4-[4-(2-Hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethyl-morpholin-4-ium-2-ol; dibromide

This fascinating compound is distinguished by its complex structure, which influences its properties and potential applications. As a scientist or a chemistry student, you might find the following points captivating:

  • Structural Sophistication: The compound features a morpholine ring, a six-membered ring containing oxygen and nitrogen atoms. This ring is responsible for various pharmacological activities, making morpholine derivatives of great interest in medicinal chemistry.
  • Medicinal Potential: Compounds like this one, characterized by the morpholin moiety, are often explored for their activity as antibacterial, antiviral, and anticancer agents. The functionality attached to the morpholine ring can significantly affect its biological activity.
  • Chirality: The presence of multiple chiral centers in the structure of this compound opens up a discussion about stereochemistry and its implications in biological systems. Chirality can affect how a compound interacts with biological targets.
  • Solubility and Stability: The presence of hydroxyl groups in the compound enhances its solubility in different environments, thereby influencing its bioavailability and reactivity. Understanding solubility is crucial when studying drug delivery systems.
  • Interactive Nature: Being a dibromide, the compound can participate in halogen bonding, which adds to its reactivity and potential interactions with other molecules. This is an important factor in designing new materials or pharmaceuticals.
  • Application in Research: Ongoing research may involve probing into the compound’s efficacy and safety profiles, making it a valuable topic for thesis projects or advanced studies in organic or medicinal chemistry.

In summary, the intricate design and versatile applications of 2-[4-[4-(2-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethyl-morpholin-4-ium-2-ol; dibromide make it a significant compound worth studying. It exemplifies the intersection of chemistry and biology, paving the way for innovative advancements in therapeutic development.

Synonyms
Hemicholinium-3
312-45-8
HEMICHOLINIUM 3
Hemicholinium bromide
Hemicholinium dibromide
Hemicholine
Hemicholinium-3 bromide
Hemicholinium 3 dibromide
Hemicholinium-3 dibromide
HC-3
65NY3I7ZD0
2,2'-(4,4'-Biphenylene)bis(2-hydroxy-4,4-dimethylmorpholinium) dibromide
Morpholinium, 2,2'-(1,1'-biphenyl)-4,4'-diylbis(2-hydroxy-4,4-dimethyl-, bromide (1:2)
Morpholinium, 2,2'-(1,1'-biphenyl)-4,4'-diylbis(2-hydroxy-4,4-dimethyl-, dibromide
2,2'-(4,4'-Biphenylene)bis(2-hydroxy-4,4-dimethylmorpholinium bromide)
Morpholinium, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[2-hydroxy-4,4-dimethyl-, dibromide
Hemicholinium 3 dibromide; Hemicholinium bromide; Hemicholinium dibromide; Hemicholinium-3 bromide
[3H]hemicholinium-3
NSC-527583
[3H]-hemicholinium-3
SR-01000075620
EINECS 206-227-3
NSC 527583
UNII-65NY3I7ZD0
Morpholinium, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[2-hydroxy-4,4-dimethyl-, bromide (1:2)
[3H]HC-3
Prestwick_566
[3H]-HC-3
Hemicholiniumdibromide
SCHEMBL564623
CHEMBL197027
GTPL4493
DTXSID80883358
OPYKHUMNFAMIBL-UHFFFAOYSA-L
GLXC-15234
HMS1569O07
HMS2096O07
HMS3261D18
HMS3713O07
HMS3751G03
HMS3885F21
HY-B2152
HEMICHOLINIUM DIBROMIDE [MI]
Tox21_500578
MFCD00011978
AKOS026750387
CCG-220393
CCG-221882
LP00578
2,2'-(1,1'-Biphenyl)-4,4'-diylbis(2-hydroxy-4,4-dimethyl-morpholinium) dibromide
Morpholinium, 2,2'-(1,1'-biphenyl)-4,4'-diylbis(2-hydroxy-4,4-dimethyl)-, dibromide
Morpholinium, 2,2'-(4,4'-biphenylylene)bis(2-hydroxy-4,4-dimethyl-, dibromide
NCGC00093959-01
NCGC00261263-01
2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol;dibromide
DA-53935
MS-30344
Hemicholinium-3, solid, >=95% (HPLC)
CS-0020304
EU-0100578
H-108
G12058
SR-01000075620-1
SR-01000075620-5
Q15409437
2,2?-(4,4?-Biphenylene)bis(2-hydroxy-4,4-dimethylmorpholinium bromide)
2,2'-([1,1'-biphenyl]-4,4'-diyl)bis(2-hydroxy-4,4-dimethylmorpholin-4-ium) bromide
2-hydroxy-2-{4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl}-4,4-dimethylmorpholin-4-ium dibromide