n-(2-cyanoethyl)-n-methylaniline
structural formula
| business number | 027k |
|---|---|
| molecular formula | c10h12n2 |
| molecular weight | 160.22 |
| label |
n-methyl-n-cyanoethylaniline, 3-(n-methylanilino)propiononitrile, n-(2-cyanoethyl)-n-methylaniline |
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.