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

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
• 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:111-33-1

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. Polarizability（10^-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. Polarizability（10^-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