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