1-Phenylpiperazine 1-Phenylpiperazine
Structural formula
| Business number | 024V |
|---|---|
| Molecular formula | C10H14N2 |
| Molecular weight | 162.23 |
| label |
N-phenylpiperazine, N-Phenyldiethylenediamine |
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.