65274-58-0

Basic information

• Product Name: 3-[4-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)piperazin-1-yl]propan-1-ol
• CAS NO: 65274-58-0
• Molecular Formula: C₂₀H₃₁F₃N₄O
• Molecular Weight: 400.4815
• Mol File: 65274-58-0.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 502.9°C at 760 mmHg
• Flash Point: 258°C
• Density: 1.177g/cm³
• Vapor Pressure: 6.18E-11mmHg at 25°C
• Refractive Index: 1.52
• CAS DataBase Reference: 3-[4-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)piperazin-1-yl]propan-1-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[4-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)piperazin-1-yl]propan-1-ol(65274-58-0)
• EPA Substance Registry System: 3-[4-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)piperazin-1-yl]propan-1-ol(65274-58-0)

Safety Data

• Hazardous Substances Data: 65274-58-0(Hazardous Substances Data)

Usage

Molecular Weight

Approximately 409.48 g/mol

Functional Groups

1. Piperazine Group:
Two piperazine groups present.
These groups are cyclic diamines.
They can act as ligands or be involved in coordination chemistry.

2. Trifluoromethylphenyl Group:
This group contains a trifluoromethyl (-CF3) attached to a phenyl ring.
Trifluoromethyl groups can influence the compound's lipophilicity and metabolic stability.
Phenyl rings are common in aromatic compounds and can be involved in various interactions.

3. Hydroxyl Group (Alcohol):
The compound has a hydroxyl group (-OH) attached to the carbon chain.
This makes the compound partially hydrophilic.
It can participate in hydrogen bonding.

Solubility

The long hydrocarbon chain suggests some solubility in nonpolar solvents.
The hydroxyl group suggests solubility in polar solvents as well.

Potential Biological Activity

The presence of piperazine and trifluoromethylphenyl groups suggests potential pharmaceutical or biological activity.
It could potentially act as a receptor agonist or antagonist.

Molecular Structure

The compound is relatively large and complex.
It has a chain of three piperazine groups connected to a propanol group.
This structure can influence its interactions with other molecules.

Medicinal Purposes

It might be explored for its potential as a drug candidate due to its structural features.
Could be used in the development of pharmaceuticals targeting specific receptors.

Industrial Purposes

The solubility properties make it potentially useful in formulations requiring solubility in both polar and nonpolar solvents.
It could be used in industrial processes where such solubility characteristics are beneficial.

However, it's important to note that these are speculative and based on the structural features of the compound. Actual applications would require further research, testing, and possibly modifications to optimize its properties for specific uses.