1-piperazinecarboxylic acid ethyl ester
structural formula
| business number | 03c5 |
|---|---|
| molecular formula | c7h14n2o2 |
| molecular weight | 158.20 |
| label |
ethyl n-piperazinecarboxylate, ethyl n-piperazinecarboxylic acid, piperazine-1-hydroxy acid ethyl ester, piperazine-1-carboxylic acid ethyl ester, 1-ethoxycarbonylpiperazine, piperazine-1-carboxylic acid ethyl ester, alicyclic compounds |
numbering system
cas number:120-43-4
mdl number:mfcd00005964
einecs number:204-395-2
rtecs number:tl1378000
brn number:125780
pubchem id:none
physical property data
1. characteristics: colorless viscous liquid.
2. density (g/ml,20℃): 1.08
3. relative vapor density (g/ml,air =1): undetermined
4. melting point (ºc): 120
5. boiling point (ºc,normal pressure):273
6. boiling point (ºc,3mmhg): undetermined
7. refractive index:1.477
8. flashpoint (ºc): >110
9. specific rotation (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (mmhg,25ºc): undetermined
12. saturated vapor pressure (kpa, ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. oil and water (octanol/log value of the partition coefficient for water: undetermined
17. explosion upper limit (%,v /v): undetermined
18. lower explosion limit (%,v/v): undetermined
19. solubility: undetermined
toxicological data
1, acute toxicity: mouse intraperitoneally ld50: 138mg/kg
ecological data
slightly harmful to water.
molecular structure data
5. molecular property data:
1. molar refractive index: 40.94
2. molar volume (m3/mol）：147.6
3. isotonic specific volume (90.2k):360.8
4. surface tension (dyne/cm):35.6
5. polarizability（10-24cm3):16.23
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): -0.2
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
p>
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 41.6
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 132
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
avoid contact with oxides.
storage method
save in a cool, dry place. make sure the workspace has good ventilation. keep away from sources of fire and store away from oxidizing agents.
synthesis method
none
purpose
mainly used as dye intermediates
p>
3. isotonic specific volume (90.2k):360.8
4. surface tension (dyne/cm):35.6
5. polarizability（10-24cm3):16.23
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): -0.2
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
p>
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 41.6
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 132
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
avoid contact with oxides.
storage method
save in a cool, dry place. make sure the workspace has good ventilation. keep away from sources of fire and store away from oxidizing agents.
synthesis method
none
purpose
mainly used as dye intermediates
