N-benzyl-4-piperidone name
The Chinese name is N-benzylpiperidone
The English name is N-Benzyl-4-piperidone
Chinese alias benzyl piperidine ketone | 1 - benzyl - 4 - piperidine ketone | N - benzyl - 4 - piperidine ketone | 1 - benzyl - 4 - piperidine ketone | 1 - benzyl - 4 - carbonyl piperidine
More English nicknames
Physicochemical properties of N-benzyl-4-piperidone
Density 1.1± 0.1g /cm3
Boiling point 278.5±0.0 °C at 760 mmHg
Molecular formula C12H15NO
Molecular weight 189.254
Flash point 130.8±11.9 °C
Accurate mass 189.115356
PSA 20.31000
LogP is 1.19
Apparent properties transparent to yellow oily liquid
Vapor pressure 0.0±0.5 mmHg at 25°C
Refractive index 1.562
Storage condition
Keep in a dry ventilated place away from light and sealed
stability
Stable at normal temperature and pressure
Water Solubility 12 g/L (20 ºC)
Molecular structure
1. Molar refractive index: 55.92
2. Molar volume (m3/mol) : 172.3
3. Isotropic volume (90.2K) : 446.0
4. Surface tension (dyne/cm) : 44.8
5. Polarization (10-24cm 3) : 22.16
Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :1.2
2. Number of hydrogen bond donors :0
3. Number of hydrogen bond receptors :2
4. Number of rotatable bonds :2
5. Number of tautomers :2
6. Topological molecular polar surface area 20.3
7. Number of heavy atoms :14
8. Surface charge :0
9. Complexity :187
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. Character: Uncertain
2. Density d (g/mL,25/4℃) : 1.059
3. Relative vapor density (g/mL, air =1) : uncertain
4. Melting point mp (ºC) : Uncertain
5. Boiling point (ºC, atmospheric pressure) : 248
6. Boiling point bp (ºC,11mmHg) : 158
7. Refractive index: 1.5399
8. fp (ºC) : > 110
9. Specific rotation (º) : Uncertain
10. Spontaneous ignition point or ignition temperature (ºC) : uncertain
11. Vapor pressure (kPa,25ºC) : Uncertain
12. Saturated vapor pressure (kPa,60ºC) : Uncertain
13. Heat of combustion (KJ/mol) : uncertain
14. Critical temperature (ºC) : Uncertain
15. Critical pressure (KPa) : Uncertain
16. The opposite value of the oil-water (octanol/water) partition coefficient: uncertain
17. Upper explosion limit (%,V/V) : Uncertain
18. Lower explosive limit (%,V/V) : Uncertain
19. Solubility: uncertain
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