structural formula

business number	024v
molecular formula	c10h14n2
molecular weight	162.23
label	n-phenylpiperazine, n-phenyldiethylenediamine

• 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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