1,4-bis(2-hydroxyethyl)piperazine 1,4-bis(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:122-96-3

mdl number:mfcd00006157

einecs number:204-586-0

rtecs number:tl3675000

brn number:none

pubchem number:24891787

physical property data

none yet

toxicological data

1, skin/eye irritation: rabbit skinirritation experiment: 10mg/24h slightly irritating to the skin.

2, acute toxicity: rat oral ld50: 3730mg/kg

rabbit skinld50：>10ml/kg

ecological data

none yet

molecular structure data

1、 molar refractive index:47.30

2, molar volume (m³/mol):158.7

3, isotonic ratio (90.2k): 407.5

4, surface tension (dyne/cm): 43.4

5、 polarizability (10^-24cm³):18.75

compute chemical data

1. reference value for calculation of hydrophobic parameters (xlogp): -1.3

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 46.9

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 99.6

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet

00; font-family: arial; mso-font-kerning: 0pt; mso-fareast-font-family: arial”>, polarizability (10^-24cm ³):18.75

compute chemical data

1. reference value for calculation of hydrophobic parameters (xlogp): -1.3

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 46.9

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 99.6

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet