2,6-Dimethylpiperazine 2,6-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:108-49-6

MDL number:MFCD07772435

EINECS number:203-588-9

RTECS number:None

BRN number:79881

PubChem number:24893547

Physical property data

1. Properties: light yellow flaky crystals.

2. Density (g/mL, 25℃): Undetermined

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

4. Melting point (ºC): 108-111

5. Boiling point (ºC, normal pressure): 162

6. Boiling point (ºC, kPa): Undetermined

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7. Refractive index (_D²⁰): Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (ºC): Undetermined

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

11. Vapor pressure (mmHg, ºC): 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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

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

19. Solubility: Undetermined

Toxicological data

None

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 34.55

2. Molar volume (cm³/mol): 138.5

3. Isotonic specific volume (90.2K ): 304.4

4. Surface tension (dyne/cm): 23.3

5. Polarizability (10-24cm3): 13.70

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP���:0

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: None

6. Topological molecule polar surface area 24.1

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 64.9

10. Number of isotope atoms: 0

11. Determine the atomic configuration Number of centers: 0

12. Uncertain number of atomic stereocenters: 2

13. Determined number of chemical bond stereocenters: 0

14. Uncertain Number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with light, oxides, and water.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire, heat and water sources. The packaging must be sealed and must not come into contact with air. should be kept away from oxidizer, do not store together. 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

Purpose

Used as a pharmaceutical intermediate, mainly used in the synthesis of fluoroquinolones spafloxacin