N,N-Dibenzyl-2-ethanolamine N,N-Dibenzyl-2-Aminoethanol

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:101-06-4

MDL number:MFCD00020574

EINECS number:202-911-0

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: Undetermined

2. Density (g/mL, 25℃): 1.06

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

4. Melting point (ºC): 38

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 15mmHg): 206

7. Refractive index: 1.542-1.544

8. Flash point (ºC): 130

9. Specific rotation (º) : Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, 20ºC): 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. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 74.81

2. Molar volume (cm³/mol): 220.7

3. Isotonic specific volume (90.2K ): 578.0

4. Surface tension (dyne/cm): 470.0

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 29.65

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.6

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 23.5

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 187

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

Used as an intermediate for the calcium antagonist nyloncardipine.