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.
