n,n-diethyl-n’-methylethylenediamine n,n-diethyl-n’-methylethylenediamine

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:104-79-0

mdl number:mfcd00009053

einecs number:203-238-5

rtecs number:none

brn number:none

pubchem number:24858647

physical property data

1. properties: undetermined

2. density (g/ml, 20℃): 0.805

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

4. melting point (ºc): undetermined

5. boiling point (ºc, normal pressure): 157-160

6. boiling point ( ºc, kpa): not determined

7. refractive index: 1.4296

8. flash point (ºc): not determined

9. specific rotation ( º): not determined

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (mmhg, 20.2ºc): not determined

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: 41.79

2. molar volume (cm³/mol): 160.1

3. isotonic specific volume (90.2k ): 364.2

4. surface tension (dyne/cm): 26.7

5. dielectric constant: 2.27

6. dipole moment (10^-24cm³):

7. polarizability: 16.56

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.6

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 5

5. number of tautomers: none

6. topological molecule polar surface area 15.3

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 50.9

10.the number of isotope atoms: 0

11. the number of determined atomic stereocenters: 0

12. the number of uncertain atomic stereocenters: 0

13. determined number of stereocenters of chemical bonds: 0

14. number of uncertain stereocenters of chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

none