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Betaxolol

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Identification
Molecular formula
C18H29N1O3
CAS number
63659-19-8
IUPAC name
2-[3-(tert-butylamino)-2-hydroxy-propoxy]benzonitrile
State
State

Betaxolol is typically found as a solid at room temperature, and it is used in the form of its hydrochloride salt in pharmaceuticals.

Melting point (Celsius)
62.00
Melting point (Kelvin)
335.15
Boiling point (Celsius)
406.60
Boiling point (Kelvin)
679.75
General information
Molecular weight
307.44g/mol
Molar mass
307.4080g/mol
Density
1.0290g/cm3
Appearence

Betaxolol is a white to off-white crystalline powder. It may appear slightly hygroscopic in nature and has a mild odor.

Comment on solubility

Solubility of 2-[3-(tert-butylamino)-2-hydroxy-propoxy]benzonitrile

The solubility of the compound 2-[3-(tert-butylamino)-2-hydroxy-propoxy]benzonitrile, with the chemical formula C18H29N1O3, can be quite fascinating, as it showcases the interplay of its molecular structure and chemical properties.

Factors Affecting Solubility

Several factors can influence the solubility of this compound:

  • Polarity: The presence of the polar -OH (hydroxyl) group may enhance solubility in polar solvents such as water.
  • Hydrophobic interactions: The tert-butylamino group contributes to a hydrophobic character, potentially decreasing solubility in polar solvents.
  • Functional groups: The benzonitrile group may interact with solvents, promoting some solubilization in organic solvents.

General Insights

In a practical context, the solubility behavior can be summarized as follows:

  1. Water: Moderate solubility expected due to polar characteristics.
  2. Organic solvents: Likely to show greater solubility in less polar or non-polar organic solvents like ethanol or chloroform.
  3. Temperature: Higher temperatures may increase solubility due to enhanced molecular motion.

In summary, the solubility of 2-[3-(tert-butylamino)-2-hydroxy-propoxy]benzonitrile is a complex interplay of its chemical structure and the solvent properties, which renders it suitable for a variety of applications, depending on the chosen medium.

Interesting facts

Interesting Facts About 2-[3-(tert-butylamino)-2-hydroxy-propoxy]benzonitrile

This fascinating compound, known as 2-[3-(tert-butylamino)-2-hydroxy-propoxy]benzonitrile, is a member of the benzene derivative family that plays a significant role in medicinal chemistry. Here are some engaging insights about this compound:

  • Therapeutic Potential: Compounds like this one are often investigated for their potential therapeutic properties. The presence of both an amino and hydroxyl group can lead to interesting pharmacological activities.
  • Structure-Activity Relationship: The structural features, including the tert-butylamino group, can significantly influence the biological activity of this compound. Understanding its structure-activity relationship (SAR) is crucial for medicinal chemistry researchers.
  • Synthetic Utility: The synthesis of compounds incorporating benzene rings and nitrile groups is a valuable technique in organic chemistry. This compound may serve as an intermediate in the synthesis of more complex molecules.
  • Analytical Importance: The presence of functional groups allows chemists to employ various analytical techniques, such as NMR and mass spectrometry, to analyze its structure and properties effectively.

In summary, 2-[3-(tert-butylamino)-2-hydroxy-propoxy]benzonitrile is more than just a chemical entity; it embodies the complexities of chemical research and the pursuit of new therapeutic agents. As researchers continue to delve into the properties and applications of such compounds, they stand on the frontier of innovation in pharmaceuticals.

Synonyms
Bunitrolol
34915-68-9
2-(3-(tert-Butylamino)-2-hydroxypropoxy)benzonitrile
Bunitrolol [INN]
KO 1366
KO-1366
2-[3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile
(RS)-2-(3-(tert-Butylamino)-2-hydroxypropoxy)benzonitril
F2613LO055
Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-
Benzonitrile, 2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-
Bunitrololum
Bunitrololum [INN-Latin]
BRN 2374567
2-Nitrilo-N-tert-butylphenoxypropanolamine
UNII-F2613LO055
o-(3-(tert-Butylamino)-2-hydroxypropoxy)benzonitrile
2-Propanol, 3-(tert-butylamino)-1-(m-cyanophenoxy)-
BUNITROLOL [MI]
BUNITROLOL [WHO-DD]
SCHEMBL34720
CHEMBL418134
DTXSID2022701
CHEBI:135012
VCVQSRCYSKKPBA-UHFFFAOYSA-N
BENZONITRILE, o-(3-(tert-BUTYLAMINO)-2-HYDROXYPROPOXY)-
AKOS007930876
NCGC00532503-01
DA-06559
HY-121045
CS-0079354
NS00005324
EN300-1268038
Q15634020
Z666346218
1-(2-cyanophenoxy)-2-hydroxy-3-tert.-butylamino propane
1-(2-CYANOPHENOXY)-2-HYDROXY-3-TERT-BUTYLAMINOPROPANE
2-({3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl}oxy)benzonitrile
(+/-)-1-(2-CYANOPHENOXY)-2-HYDROXY-3-TERT-BUTYLAMINOPROPANE