N,N,N’,N’-Tetramethyl-1,4-diaminobutane N,N,N’,N’-Tetramethyl-1,4-diaminobutane

Structural formula

Business number	033R
Molecular formula	C8H20N2
Molecular weight	144.26
label	Tetramethylbutanediamine, 1,4-Bis(dimethylamino)butane, 2,7-Dimethyl-2,7-diazaoctane, Tetramethyldiaminobutane, Universal reagents

• 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

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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