1-phenylpiperazine

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:92-54-6

MDL number:MFCD00005957

EINECS number:202-165-6

RTECS number:TM2625000

BRN number:132157

PubChem number:24898377

Physical property data

1. Characteristics: Undetermined

2. Density (g/mL, 25/4℃): 1.062

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

4. Melting point (ºC): 18.8

5. Boiling point (ºC, normal pressure): 286

6. Boiling point (ºC ,5.2kPa): Undetermined

7. Refractive index: 1.5865-1.5885

8. Flash point (ºC): 140

9. Specific rotation (º): Undetermined

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

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

12. Saturated vapor pressure (kPa, 60ºC): 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

None

Molecular structure data

1. Molar refractive index: 49.80

2. Molar volume (cm³/mol): 157.7

3. Isotonic specific volume (90.2K ): 388.9

4. Surface tension (dyne/cm): 36.9

5. Polarizability (10-24cm3): 19.74

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 15.3

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 124

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

None

Storage method

This product should be kept sealed.

Synthesis method

Prepared by dehydration and cyclization of 2-(2-aminoethylamino)-2-phenylethanol [H2NCH2CH2NHCH(C6H5)CH2OH] in an autoclave at 220°C.

Purpose

Starting raw materials for the synthesis of 2-phenylpiperazine compounds. The ones that have been synthesized include 1,4-dimethyl-2-phenylpiperazine and 1,4-diethyl-2-phenyl. Piperazine, 1-ethyl-2-phenylpiperazine and a series of compounds.

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