n-(2-cyanoethyl)-n-(2-hydroxyethyl)aniline n-(2-cyanoethyl)-n-(2-hydroxyethyl)anilin

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:92-64-8

mdl number:mfcd00035705

einecs number:202-174-5

rtecs number:ug2905000

brn number:2369849

pubchem number:24874374

physical property data

1. properties: oily liquid.

2. density (g/ml, 25/4℃): undetermined

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

4. melting point (ºc): not determined

5. boiling point (ºc, normal pressure): not determined

6. boiling point (ºc, 5.2kpa): not determined determined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation (º): undetermined

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

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

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

19. solubility: undetermined

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 55.91

2. molar volume (cm³/mol): 167.8

3. isotonic specific volume (90.2k ): 453.6

4. surface tension (dyne/cm): 53.3

5. polarizability (10-24cm3): 22.16

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: 3

4. number of rotatable chemical bonds: 5

5. number of tautomers: none

6. topological molecule polar surface area 47.3

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 191

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12.��determine the number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

this product should be kept sealed.

synthesis method

none

purpose

used in the production of dyes such as disperse red s-fl and disperse red 3gfl.