Polyether_Polyether Polyol Knowledge N,N’-Dimethyl-1,3-propanediamine N,N’-Dimethyl-1,3-propanediamine

N,N’-Dimethyl-1,3-propanediamine N,N’-Dimethyl-1,3-propanediamine

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

Structural formula

Business number 033A
Molecular formula C5H14N2
Molecular weight 102.18
label

1,3-Bis(methylamino)propane,

N,N′-Dimethyltrimethylenediamine,

linear compound

Numbering system

CAS number:111-33-1

MDL number:MFCD00008292

EINECS number:203-859-1

RTECS number:None

BRN number:773668

PubChem number:24858649

Physical property data

1. Characteristics: Colorless liquid.


2. Density (g/mL,20):0.817


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


4. Melting point (ºC): Undetermined


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


6. Boiling point (ºC, kPa): Undetermined


7. Refractive index:1.4375-1.4395


8. Flashpoint (ºC):20


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


16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: soluble in water.

Toxicological data

None

Ecological data

Slightly harmful to water bodies.

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 32.40


2. Molar volume (m3/mol):128.7


3. isotonic specific volume (90.2K):286.9


4. Surface Tension (dyne/cm):24.7


5. Polarizability10-24cm3):12.84

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): -0.3

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 24.1

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 25.3

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

Avoid contact with oxides, acids, and carbon dioxide.

Storage method

Save in a cool, dry place. Ensure that the workspace has good ventilation facilities and explosion-proof facilities. Keep away from fire sources and prevent static electricity. Store away from oxidants and air.

Synthesis method

None

Purpose

None

isotonic ratio (90.2K): 286.9


4. Surface Tension (dyne/cm):24.7


5. Polarizability10-24cm3):12.84

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): -0.3

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 24.1

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 25.3

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

Avoid contact with oxides, acids, and carbon dioxide.

Storage method

Save in a cool, dry place. Ensure that the workspace has good ventilation facilities and explosion-proof facilities. Keep away from fire sources and prevent static electricity. Store away from oxidants and air.

Synthesis method

None

Purpose

None

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.polyether-factory.com/archives/15660

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