1,4-bis(2-hydroxyethyl)piperazine 1,4-bis(2-hydroxyethyl)piperazine
structural formula
| business number | 03ft |
|---|---|
| molecular formula | c8h18n2o2 |
| molecular weight | 174.24 |
| label |
1,4-piperazinediethanol, heterocyclic compounds |
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
