n-acetylethanolamine

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:142-26-7

mdl number:mfcd00002836

einecs number:205-530-8

rtecs number:ac3120000

brn number:none

pubchem id:none

physical property data

1. properties: colorless viscous liquid.

2. density (g/ml, 25/4℃): 1.1079

3. relative density (g/ml, 20/4℃): 1.120

4. melting point (ºc): undetermined

5. boiling point (ºc, normal pressure): 150-152

6. boiling point (ºc, 5.2kpa): undetermined

7. refractive index (n²⁰): 1.473

8. flash point (ºc): 176

9. ratio optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa, 25ºc): undetermined

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12. saturated vapor pressure (kpa, 60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc ): undetermined

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: soluble in ethanol, ether and water.

toxicological data

2. toxicological data:

1. acute toxicity: rat oral ld50: 26950 mg/kg;

rabbit transdermal ld50: >20 ml/kg.

ecological data

3. ecological data:

other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

5. molecular property data:

1. molar refractive index: 25.73

2. molar volume (cm³/mol): 98.0

3 , isotonic specific volume (90.2k): 241.0

4. surface tension (dyne/cm): 36.5

5. polarizability (10^-24cm³): 10.20

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -1.1

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

p>

4. number of rotatable chemical bonds: 2

5. number of tautomers: 2

6. topological molecule polar surface area 49.3

7. number of heavy atoms: 7

8. surface charge: 0

9. complexity: 62.7

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

1. stable under normal temperature and pressure. incompatible materials: strong oxidizing agents

2. irritating.

storage method

stored sealed and protected from light.

synthesis method

reaction of ethanolamine with methyl acetate. this reaction was carried out in a water bath under reflux for 6 hours and then the finished product was collected by fractionation under reduced pressure.

purpose

this product is used in dye synthesis and pharmaceuticals.