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.