N-BOC-aniline

N-boc-aniline name

Its Chinese name is N-Boc-aniline

The English name is tert-butyl N-phenylcarbamate

Chinese alias tert - butyl phenyl carbamate | tertiary butyl - N - phenyl carbamate

More English nicknames

Physicochemical properties of N-Boc-aniline

Density 1.1± 0.1g /cm3

Boiling point 235.3±9.0 °C at 760 mmHg

Melting point 133-137 °C(lit.)

Molecular formula C11H15NO2

Molecular weight 193.242

Flash point 96.1±18.7 °C

Accurate mass 193.110275

PSA 38.333000

LogP 3.00

Vapor pressure 0.1±0.5 mmHg at 25°C

Refractive index 1.542

Storage condition

Keep in a cool, dry place

stability

Stable at normal temperature and pressure

Molecular structure

1. Molar refractive index: 56.13

2. Molar volume (m3/mol) : 178.4

3. Isotropic volume (90.2K) : 445.1

4. Surface tension (dyne/cm) : 38.7

5. Dielectric constant (F/m) : unavailable

6. Dipole distance (D) : No use

7, polarization (10-24cm 3) : 22.25

Computational chemistry

1. Reference value of hydrophobic parameter calculation (XlogP) : 2.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond receptors: 2

4. Number of rotatable bonds: 3

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA) : 38.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 190

10. Number of isotope atoms: 0

11. Determine the number of atomic constitutive centers: 0

12. Number of uncertain atomic constitutive centers: 0

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

14. Number of uncertain chemical bond structure centers: 0

15. Number of covalent bond units: 1

more

1. Character: not determined

2. Density (g/mLat 25°C) : Not determined

3. Relative vapor density (g/mL, air =1) : not determined

4. Melting point (ºC) : 133-137

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

6. Boiling point (ºC,754mmHg) : Not determined

7. Refractive index (n20/D) : not determined

8. Flash point (ºC) : Not determined

9. Specific rotation (º) : Not determined

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

11. Vapor pressure (mmHg,37ºC) : Not determined

12. Saturated vapor pressure (kPa,114.4 ºC) : Not determined

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

14. Critical temperature (ºC) : Not determined

15. Critical pressure (MPa) : 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: not determined