structural formula
| business number | 03tc |
|---|---|
| molecular formula | c8h19no2 |
| molecular weight | 161.24 |
| label |
2-(2-diethylaminoethoxy)ethanol, 2-(beta-(diethylamino)ethoxy)ethanol, 6-ethyl-3-oxa-6-azaoctanol, aliphatic compounds |
numbering system
cas number:140-82-9
mdl number:mfcd00020604
einecs number:205-436-7
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. physical property data:
1. character: colorless liquid
2. density (g/ml ,20/4℃）： 0.941
3. refractive index (nd20):1.448
4. boiling point (ºc,1.33kpa):100-104
5. flash point (ºc): 96
toxicological data
2. toxicological data:
1, acute toxicity: rabbit oral ldlo: 2590 ul/kg;
rabbit skinld50：2020 ul/kg.
ecological data
3. ecological data:
usually for water is not hazardous and materials should not be discharged into the surrounding environment without government permission. span>
molecular structure data
5. molecular property data:
1. molar refractive index:46.11
2. molar volume (m3/ mol):171.7
3. isotonic specific volume (90.2k): 412.5
4. surface tension (dyne/cm): 33.3
5. polarizability（10-24cm3):18.28
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
4. number of rotatable chemical bonds: 7
5. number of tautomers: none
6. topological molecule polar surface area 32.7
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 74.5
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain atomic stereocentersso-margin-bottom-alt: auto; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt 72.75pt” align=left>1. molar refractive index:46.11
2. molar volume (m3/ mol):171.7
3. isotonic specific volume (90.2k): 412.5
4. surface tension (dyne/cm): 33.3
5. polarizability（10-24cm3):18.28
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
4. number of rotatable chemical bonds: 7
5. number of tautomers: none
6. topological molecule polar surface area 32.7
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 74.5
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
stable under normal temperature and pressure. span>
storage method
save in a dry and cool place.
synthesis method
obtained from the etherification of diethylaminoethanol and ethylene oxide.
purpose
used in the production of antitussives such as kebiqing.
quantity: 0
13. determined number of stereocenters of chemical bonds: 0
14. uncertain number of stereocenters of chemical bonds: 0
15. covalent bonds number of units: 1
properties and stability
stable under normal temperature and pressure. span>
storage method
save in a dry and cool place.
synthesis method
obtained from the etherification of diethylaminoethanol and ethylene oxide.
purpose
used in the production of antitussives such as kebiqing.
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