N,N,4-Trimethylpiperazine-1-ethylamine 1-(2-Dimethylaminoethyl)-4-methylpiperazine

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:104-19-8

MDL number:MFCD00059773

EINECS number:203-183-7

RTECS number:TL6125000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: Undetermined

2. Density (g/mL, 20℃): 0.89

3. Relative vapor density (g/mL, air=1) : Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC , 12mmHg): 96

7. Refractive index: not determined

8. Flash point (ºC): not determined

9. Specific rotation (º ): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, 20.2ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined Determined

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

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Toxicological data

1. Skin/eye irritation: Start irritation test: rabbit skin contact, 100μg/24H; Standard Dresser test: rabbit skin contact, 5mg/24HREACTION SEVERITY, strong reaction; Standard Dresser test: rabbit eye contact, 750μg/ 24HREACTION SEVERITY, strong reaction; 2. Acute toxicity: rat oral LD50: 1420μL/kg;sp; Rabbit skin contact LD50: 390μL/kg;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 52.60

2. Molar volume (cm³/mol): 186.4

3. Isotonic specific volume (90.2K ): 439.8

4. Surface tension (dyne/cm): 31.0

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 20.85

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 9.7

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 117

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