Toluene diisocyanate manufacturer Knowledge N,N,N’,N’-Tetramethyl-1,4-diaminobutane N,N,N’,N’-Tetramethyl-1,4-diaminobutane

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

N,N,N',N'-tetramethyl-1,4-butanediamine structural formula

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

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. Polarizability10-24cm3):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. Polarizability10-24cm3):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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