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