n-ethyl-n-(2-hydroxyethyl)aniline

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:92-50-2

mdl number:mfcd00020575

einecs number:202-160-9

rtecs number:kl0878000

brn number:none

pubchem number:24847339

physical property data

1. characteristics: yellow to brown crystals.

2. density (g/ml,25/4℃)： undetermined

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

4. melting point (ºc): 36～38

5. boiling point (ºc,normal pressure):268℃

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

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific optical rotation (º): undetermined

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

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

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. oil and water (octanol/water) partition coefficient pair value: undetermined

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

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

19. solubility: soluble in ethanol, ether, chloroform and inorganic acids, insoluble in water.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 51.36

2. molar volume (m³/mol) ：157.9

3. isotonic specific volume (90.2k):405.5

4. surface tension (dyne/cm):43.4

5. polarizability（10^-24cm³):20.36

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 23.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 110

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 away from light.

synthesis method

none

purpose

dye cationic redgtlintermediates.

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