N,N’-Dimethylpiperazine N,N’-Dimethylpiperazine

Structural formula

• 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:106-58-1

MDL number:MFCD00006156

EINECS number:203-412-0

RTECS number:TL5945000

BRN number:103022

PubChem ID:None

Physical property data

1. Properties: Colorless volatile liquid.

2. Density (g/mL, 25℃): 0.844

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

4. Melting point (ºC): -1

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

6. Boiling point (ºC, 106.6kPa): 131~132

7. Refractive index (_D²⁰): 1.4463

8. Flash point (ºC): 18

9. Specific rotation (ºC): Not determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 25ºC ): Undetermined

12. Saturated vapor pressure (kPa, 25ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined Determined

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

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Easily soluble in water, ethanol, and ether.

Toxicological data

1. Acute toxicity: rat subcutaneous LD50: 2500mg/kg;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 34.99

2. Molar volume (cm³/mol): 128.5

3. Isotonic specific volume (90.2K ): 293.3

4. Surface tension (dyne/cm): 27.1

5. Polarizability (10-24cm3): 13.87

Compute chemical data

1.  Hydrophobic parameter calculation reference value (XlogP): -0.4

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 6.5

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 54.9

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

Avoid contact with strong oxidants and acids.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The storage temperature should not exceed 30℃. Keep container tightly sealed. They should be stored separately from oxidants and acids, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None yet

Purpose

Used in the pharmaceutical industry.