n,n,4-trimethylpiperazine-1-ethylamine 1-(2-dimethylaminoethyl)-4-methylpiperazine
structural formula
| business number | 02pt |
|---|---|
| molecular formula | c9h21n3 |
| molecular weight | 171.28 |
| label |
n,n,4-trimethylpiperazine-1-ethylamine, 1-(2-dimethylaminoethyl)-4-methylpiperazine, 1-methyl-4-dimethylaminoethylpiperazine, 1-(2-dimethylaminoethyl)-4-methylpiperazine, n,n-4-trimethyl-1-piperazine ethanamine, 1-(2-(dimethylamino)ethyl)-4-methyl-piperazin, 1-(2-(n,n-dimethylamino)ethyl)-4-methylpiperazine, 1-piperazineethanamine, n,n,4-trime |
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
