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