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
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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
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