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

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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