N-(2-Hydroxyethyl)piperazine N-(2-Hydroxyethyl)piperazine

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:103-76-4

MDL number:MFCD00005970

EINECS number:203-142-3

RTECS number:TL6825000

BRN number:104361

PubChem number:24895538

Physical property data

1. Properties: colorless transparent liquid

2. Density (g/mL, 20℃): 1.061

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

4. Melting point (ºC): -38.5

5. Boiling point (ºC, normal pressure): 246

6. Boiling point ( ºC, mmHg): Undetermined

7. Refractive index: 1.5065

8. Flash point (ºC): 135

9. Specific rotation (º ): Undetermined

10. Autoignition point or ignition temperature (ºC): 280

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): 8.9

18. Lower explosion limit (%, V/V): 1.4

19. Solubility: Undetermined

Toxicological data

1. Skin/eye irritation: Start irritation test: rabbit skin contact, 500mgREACTION SEVERITY, slight reaction;bsp; Standard Dresser test: rabbit eye contact, 20mg/24HREACTION SEVERITY, moderate reaction; 2. Acute toxicity: rat oral LD50: 4920μL/kg; mouse peritoneal cavity LD50: 100mg/kg; rabbit oral LD50: 3350mg/kg; Rabbit skin contact LD50: >5mL/kg; Guinea pig oral LD50: 3720mg/kg;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 36.22

2. Molar volume (cm³/mol): 128.6

3. Isotonic specific volume (90.2K): 312.2

4. Surface tension (dyne/cm): 34.7

5. Polarizability (10-24cm3): 14.35

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -1.1

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 35.5

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 71.5

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 oxidizing agents. It has a strong amine smell and is easily oxidized and discolored at high temperatures.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. 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

Derived from the reaction of piperazine hexahydrate and ethylene oxide. Dissolve piperazine hexahydrate in water, stir and cool to 15-20°C, and add ethylene oxide. After passing through, stir and react for 2 hours at 30-35°C, then heat to steam out 90% of the original water added. Cool to below 15°C and filter. The filtrate is distilled under reduced pressure, and the 145-155°C (5.33kPa) fraction is collected to obtain N-(2-hydroxyethyl)piperazine.

Purpose

Organic synthesis intermediates. It is used in medicine to synthesize drugs such as dechlorhydroxyzine and fluphenazine.