n-(2-hydroxyethyl)iminodiacetic acid n-(2-hydroxyethyl)iminodiacetic acid

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:93-62-9

mdl number:mfcd00004293

einecs number:202-263-9

rtecs number:ai1925000

brn number:1780628

pubchem number:24878686

physical property data

1. characteristics: white granular crystals or crystalline powder

2. density (g/ml,25/4℃)： undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc):168 ℃（180℃ decomposition)

5. boiling point (ºc,normal pressure): undetermined

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

7. refractive index: undetermined

8. flashpoint (ºc): undetermined

9. specific optical rotation (º): undetermined

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

11. vapor pressure (kpa,25ºcoil and water (octanol/log value of partition coefficient (water): undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: easily soluble in hot water, slightly soluble in cold water.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index:38.23

2. molar volume (m³/ mol):121.5

3. isotonic specific volume (90.2k): 356.8

4. surface tension (dyne/cm): 74.2

5. polarizability（10^-24cm³):15.15

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -3.5

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 6

4. number of rotatable chemical bonds: 6

5. number of tautomers: none

6. topological molecule polar surface area 98.1

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 153

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

storage method

this product should be sealed and stored in a cool, dry place.

synthesis method

dissolve 60g chloroacetic acid in 200ml water, neutralize with 25g potassium carbonate, add 15g ethanolamine and 40g potassium carbonate, heat and reflux for 3 hours, cool and acidify to ph=2 with concentrated hydrochloric acid. after cooling, hydroxyethyl imine diacetic acid crystals precipitate. after recrystallization with water, 22g of finished product was obtained with a yield of 50%.

purpose

as complexing agent.

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3. isotonic specific volume (90.2k): 356.8

4. surface tension (dyne/cm): 74.2

5. polarizability（10^-24cm³):15.15

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -3.5

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 6

4. number of rotatable chemical bonds: 6

5. number of tautomers: none

6. topological molecule polar surface area 98.1

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 153

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

storage method

this product should be sealed and stored in a cool, dry place.

synthesis method

dissolve 60g chloroacetic acid in 200ml water, neutralize with 25g potassium carbonate, add 15g ethanolamine and 40g potassium carbonate, heat and reflux for 3 hours, cool and acidify to ph=2 with concentrated hydrochloric acid. after cooling, hydroxyethyl imine diacetic acid crystals precipitate. after recrystallization with water, 22g of finished product was obtained with a yield of 50%.

purpose

as complexing agent.