N-Carbethoxy-4-piperidone

N-ethoxycarbonyl - 4-piperidone

The Chinese name is N-ethoxycarbonyl 4-piperidone

N-Carbethoxy-4-piperidone

Chinese nickname - oxygen generation - 1-4 piperidine ethyl formate | - oxygen generation - 1-4 piperidine carboxylic acid ethyl ester | 1 - ethoxy carbonyl - 4 - piperidine ketone | N - formyl - 4 - b oxygen piperidine ketone | 1 - ethoxy carbonyl - 4 - piperidine ketone | N - b - 4 - piperidine ketone carboxy oxygen radicals

More English nicknames

Biological activity of N-ethoxycarbonyl - 4-piperidone

Description N-methoxy-4-piperidone is a metabolite of loratadine (HY-17043). Loratadine is a selective reverse peripheral histamine H1 receptor agonist with anti-dengue virus (DENV) activity [1][2][3].

The toxicity of n-methoxy-4-piperidone (piperidone 4) to Candida Duchenii, Candida calyx and Candida blackhead was studied in vitro [1].

Physicochemical properties of N-ethoxycarbonyl - 4-piperidone

Density 1.2± 0.1g /cm3

Boiling point 273.4±33.0 °C at 760 mmHg

Molecular formula C8H13NO3

Molecular weight 171.194

Flash point 87.8±0.0 °C

Accurate mass 171.089539

PSA 46.61000

LogP minus 0.31

Appearance properties colorless liquid

Vapor pressure 0.0±0.6 mmHg at 25°C

Refractive index 1.483

Storage condition

Keep the storage device sealed and stored in a cool, dry place. Ensure that the workshop is well ventilated or vented

stability

Will not decompose if used and stored according to specifications. No known hazardous reactions

Oxide avoidance

Water is slightly soluble

Computational chemistry

1. Reference value of hydrophobic parameter calculation (XlogP) :-0.1

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :3

4. Number of rotatable bonds :2

5. Number of tautomers :2

6. Topological molecular polar surface area 46.6

7. Number of heavy atoms :12

8. Surface charge :0

9. Complexity :181

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of indeterminate atomic orthotropic centers :0

13. Determine the number of chemical bond constitutive centers :0

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

more

1. Properties: Colorless or yellow liquid

2. Density (g/mL,20℃) : 1.135

3. Relative vapor density (g/mL, air =1) : 5.9

4. Melting point (ºC) : Not determined

5. Boiling point (ºC, atmospheric pressure) : not determined

6. Boiling point (ºC,0.13KPa) : 95-98

7. Refractive index: n20/D 1.475

8. Flash point (ºC) : 87.8

9. Specific rotation (º) : Not determined

10. Spontaneous ignition point or ignition temperature (ºC) : not determined

11. Vapor pressure (Pa,20ºC) : Not determined

12. Saturated vapor pressure (KPa,25ºC) : Not determined

13. Heat of combustion (KJ/mol) : not determined

14. Critical temperature (ºC) : Not determined

15. Critical pressure (KPa) : Not determined

16. Logarithmic value of oil-water (octanol/water) partition coefficient: not determined

17. Upper explosion limit (%,V/V) : Not determined

18. Lower explosive Limit (%,V/V) : Not determined

19. Solubility: Soluble in water