n-2-cyanoethyl-n-2-hydroxyethyl-m-toluidine

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:119-95-9

mdl number:mfcd00045976

einecs number:none

rtecs number:none

brn number:none

pubchem id:none

physical property data

none

toxicological data

none

ecological data

none

molecular structure data

5. molecular property data:

1, moore refractive index: 60.73

2、 molar volume (m³/mol):184.1

3、 isotonic specific volume (90.2k) ：491.3

4, surface tension (dyne/cm):50.7

5、 polarizability (10^-24cm³):24.07

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.4

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: 15

8. surface charge: 0

9. complexity: 221

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. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

none

o-font-kerning: 0pt”>10^-24cm³): 24.07

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.4

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: 15

8. surface charge: 0

9. complexity: 221

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. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

none