n,n,n’,n’-tetramethyl-1,6-hexanediamine n,n,n’,n’-tetramethyl-1,6-hexanediamine

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:111-18-2

mdl number:mfcd00008339

einecs number:203-842-9

rtecs number:mo1370000

brn number:none

pubchem number:24846690

physical property data

1. characteristics: liquid

2. density (g/ml,20℃):0.806

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

4. melting point (ºc): -46

5. boiling point (ºc,normal pressure):209-210

6. boiling point (ºc, kpa): undetermined

7. refractive index:1.435-1.437

8. flashpoint (ºc）：73

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

rabbit eye standard dreze eye dye test: 5ul severe irritation.

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 55.82

2. molar volume (m³/mol）：208.1

3. isotonic specific volume (90.2k):481.3

4. surface tension (dyne/cm):28.6

5. polarizability（10^-24cm³):22.12

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.7

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 7

5. number of tautomers: none

6. topological molecule polar surface area 6.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 77.8

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

‘times new roman'”> polarizability（10^-24cm³):22.12

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.7

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 7

5. number of tautomers: none

6. topological molecule polar surface area 6.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 77.8

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