n,n,n’,n’-tetramethyl-1,4-diaminobutane n,n,n’,n’-tetramethyl-1,4-diaminobutane

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:111-51-3

mdl number:mfcd00008338

einecs number:203-878-5

rtecs number:ej7530000

brn number:1735538

pubchem number:24847761

physical property data

1. characteristics: undetermined

2. density (g/ml,20℃): 0.792

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

4. melting point (ºc): undetermined

5. boiling point (ºc,normal pressure):166-167

6. boiling point (ºc,0.266kpa): not determined

7. refractive index: 1.428

8. flashpoint (ºc): undetermined

9. specific rotation (º): undetermined

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

11. vapor pressure (mmhg,20ºc): undetermined

12. saturated vapor pressure (kpa,20 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 upper limit (%,v/v): undetermined

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

19. solubility:undetermined

toxicological data

none

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 46.55

2. molar volume (m³/mol）：175.0

3. isotonic specific volume (90.2k):401.8

4. surface tension (dyne/cm):27.7

5. polarizability（10^-24cm³):18.45

compute chemical data

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

2. number of hydrogen bond donors: 0

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 6.5

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 59.7

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

.75pt; text-indent: -54.75pt; text-align: left; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt” align=left>4. surface tension (dyne/cm): 27.7

5. polarizability（10^-24cm³):18.45

compute chemical data

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

2. number of hydrogen bond donors: 0

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 6.5

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 59.7

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