883542-69-6

Basic information

• Product Name: [3-(4-FLUOROPHENOXY)PROPYL]METHYLAMINE
• Synonyms: [3-(4-FLUOROPHENOXY)PROPYL]METHYLAMINE;CHEMBRDG-BB 9071556;3-(4-FLUOROPHENOXY)-N-METHYL-1-PROPANAMINE;3-(4-fluorophenoxy)-N-methyl-1-propanamine(SALTDATA: FREE)
• CAS NO: 883542-69-6
• Molecular Formula: C10H14FNO
• Molecular Weight: 183.22
• Mol File: 883542-69-6.mol

Chemical Properties

• Boiling Point: 268.567°C at 760 mmHg
• Flash Point: 116.225°C
• Appearance: /
• Density: 1.041g/cm³
• Vapor Pressure: 0.008mmHg at 25°C
• Refractive Index: 1.485
• PKA: 10.30±0.10(Predicted)
• CAS DataBase Reference: [3-(4-FLUOROPHENOXY)PROPYL]METHYLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: [3-(4-FLUOROPHENOXY)PROPYL]METHYLAMINE(883542-69-6)
• EPA Substance Registry System: [3-(4-FLUOROPHENOXY)PROPYL]METHYLAMINE(883542-69-6)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 883542-69-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
[3-(4-FLUOROPHENOXY)PROPYL]METHYLAMINE is used as an intermediate for the synthesis of various drugs and pharmaceuticals, contributing to the development of new medicinal products.
Used in Scientific Research:
In the realm of scientific research, [3-(4-FLUOROPHENOXY)PROPYL]METHYLAMINE serves as a reference standard and reagent in chemical analysis, aiding in the study of pharmacological activities and properties of related compounds.
Used in Medicine:
[3-(4-FLUOROPHENOXY)PROPYL]METHYLAMINE's unique structure and reactivity make it an important component in the development of new pharmaceutical products, potentially leading to advancements in medical treatments and therapies.
Used in Chemistry and Materials Science:
[3-(4-FLUOROPHENOXY)PROPYL]METHYLAMINE's properties also render it suitable for applications in the fields of chemistry and materials science, where it can be utilized for various purposes, including the creation of new materials and the enhancement of existing ones.

InChI:InChI=1/C10H14FNO/c1-12-7-2-8-13-10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3

Upstream product

• 1129-78-8 1-(3-bromopropoxy)-4-fluorobenzene 
• 74-89-5 methylamine 

Downstream Products

• 1224934-64-8 2-(2,4-difluorophenyl)-3-([3-(4-fluorophenoxy)propyl]-(methyl)amino)-1-(1H-1,2,4-triazol-1-yl)propan-2-ol 

Relevant articles and documents

Improved model of lanosterol 14α-demethylase by ligand-supported homology modeling: Validation by virtual screening and azole optimization

Lanosterol 14α-demethylase (CYP51) is an important target for antifungal drugs. An improved three-dimensional model of CYP51 from Candida albicans (CACYP51) was constructed by ligand-supported homology modeling and molecular dynamics simulations. The accuracy of the constructed model was evaluated by its performance in a small-scale virtual screen. The results show that known CYP51 inhibitors were efficiently discriminated by the model, and it performed better than our previous CACYP51 model. The active site of CACYP51 was characterized by multiple copy simultaneous search (MCSS) calculations. On the basis of the MCSS results, a series of novel azoles were designed and synthesized, and they showed good in vitro antifungal activity with a broad spectrum. The MIC80 value of four of these compounds against C. albicans is 0.001 μgmL-1, indicating that they are promising leads for the discovery of novel antifungal agents.