n,n’-dimethyl-1,3-propanediamine n,n’-dimethyl-1,3-propanediamine

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:111-33-1

mdl number:mfcd00008292

einecs number:203-859-1

rtecs number:none

brn number:773668

pubchem number:24858649

physical property data

1. characteristics: colorless liquid.

2. density (g/ml,20℃):0.817

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

4. melting point (ºc): undetermined

5. boiling point (ºc,normal pressure):145

6. boiling point (ºc, kpa): undetermined

7. refractive index:1.4375-1.4395

8. flashpoint (ºc):20

9. specific optical rotation (º): undetermined

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

11. vapor pressure (mmhg,25ºc): 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. oil and water (octanol/log value of the partition coefficient for water: undetermined

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

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

19. solubility: soluble in water.

toxicological data

none

ecological data

slightly harmful to water bodies.

molecular structure data

5. molecular property data:

1. molar refractive index: 32.40

2. molar volume (m³/mol）：128.7

3. isotonic specific volume (90.2k):286.9

4. surface tension (dyne/cm):24.7

5. polarizability（10^-24cm³):12.84

compute chemical data

1. reference value for calculation of hydrophobic parameters (xlogp): -0.3

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

p>

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 24.1

7. number of heavy atoms: 7

8. surface charge: 0

9. complexity: 25.3

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

avoid contact with oxides, acids, and carbon dioxide.

storage method

save in a cool, dry place. ensure that the workspace has good ventilation facilities and explosion-proof facilities. keep away from fire sources and prevent static electricity. store away from oxidants and air.

synthesis method

none

purpose

none

isotonic ratio (90.2k): 286.9

4. surface tension (dyne/cm):24.7

5. polarizability（10^-24cm³):12.84

compute chemical data

1. reference value for calculation of hydrophobic parameters (xlogp): -0.3

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

p>

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 24.1

7. number of heavy atoms: 7

8. surface charge: 0

9. complexity: 25.3

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

avoid contact with oxides, acids, and carbon dioxide.

storage method

save in a cool, dry place. ensure that the workspace has good ventilation facilities and explosion-proof facilities. keep away from fire sources and prevent static electricity. store away from oxidants and air.

synthesis method

none

purpose

none