n-(2-cyanoethyl)-n-methylaniline

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:94-34-8

mdl number:mfcd00019856

einecs number:202-325-5

rtecs number:none

brn number:2803416

pubchem id:none

physical property data

1. character: brown oil

2. density (g/ml, 25/4℃): 1.035

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

4. melting point (ºc): undetermined

5. boiling point (ºc, normal pressure): 313

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

7. refractive index: 1.56

8. flash point (ºc): not determined

9. specific rotation degree (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. 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: undetermined

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 48.70

2. molar volume (cm³/mol): 155.9

3. isotonic specific volume (90.2k ): 397.4

4. surface tension (dyne/cm): 42.2

5. polarizability (10-24cm3): 19.30

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.7

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 27

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 162

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. uncertain number of stereocenters of chemical bonds���:0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

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

synthesis method

none yet

purpose

used as acid red14, alkaline orange24 and other dye intermediates.