n-benzyl ethanolamine n-benzyl ethanol amine

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:104-63-2

mdl number:mfcd00002840

einecs number:203-221-2

rtecs number:none

brn number:775164

pubchem number:24891635

physical property data

1. properties: undetermined

2. density (g/ml, 25℃): 1.065

3. relative vapor density (g/ml, air=1) : undetermined

4. melting point (ºc): undetermined

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc ,12mmhg): 153-156

7. refractive index: 1.543

8. flash point (ºc): 130

9. specific rotation (º ): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg,ºc): undetermined

12. saturated vapor pressure (kpa, ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility: undetermined

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 45.56

2. molar volume (cm³/mol): 145.0

3. isotonic specific volume (90.2k ): 368.3

4. surface tension (dyne/cm): 41.5

5. dielectric constant:

6.dipole moment (10^-24cm³):

7, polarizability: 18.06

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 32.3

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 89.6

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

none