Toluene diisocyanate manufacturer Knowledge N,N,N’,N’-Tetramethyl-1,3-propanediamine N,N,N’,N’-Tetramethyl-1,3-propanediamine

N,N,N’,N’-Tetramethyl-1,3-propanediamine N,N,N’,N’-Tetramethyl-1,3-propanediamine

N,N,N',N'-tetramethyl-1,3-propanediamine structural formula

Structural formula

Business number 032G
Molecular formula C7H18N2
Molecular weight 130.23
label

Tetramethylpropylenediamine,

N,N,N’,N’-Tetramethyl-1,3-diaminepropane,

Tetramethyl-1,3-diaminopropane,

Bis[(dimethylamino)methyl]methane,

1,3-Bis(dimethylamino)propane,

linear compound

Numbering system

CAS number:110-95-2

MDL number:MFCD00008337

EINECS number:203-818-8

RTECS number:TX8400000

BRN number:None

PubChem number:24879082

Physical property data

1. Characteristics: Colorless liquid.


2. Density (g/mL,15): 0.779


3. Relative vapor density (g/mL,Air=1): Undetermined


4. Melting point (ºC): 95-98


5. Boiling point (ºC,normal pressure): 145-146


6. Boiling point (ºC,kPa): Undetermined


7. Refractive index: 1.4234


8. Flashpoint (ºC): 32


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (mmHg,145ºC): 760


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


Ecological data

This substance is slightly harmful to water.

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 41.48


2. Molar volume (m3/mol):151.5


3. isotonic specific volume (90.2K):358.9


4. Surface Tension (dyne/cm):31.4


5. Polarizability10-24cm3):16.44

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 6.5

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 51.9

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

Does not decompose at room temperature and pressure. Contact with oxidants and acids is prohibited.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and anti-static. They should be stored separately from oxidants and acids, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

None yet

w Roman’; mso-bidi-font-family: Arial”>(10-24cm3):16.44

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 6.5

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 51.9

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

Does not decompose at room temperature and pressure. Contact with oxidants and acids is prohibited.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and anti-static. They should be stored separately from oxidants and acids, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

None yet

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