n-cyclohexyl-p-toluenesulfonamide n-cyclohexyl-p-toluenesulfonamide

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:80-30-8

mdl number:mfcd00014285

einecs number:201-268-3

rtecs number:xt5617000

brn number:2698317

pubchem id:none

physical property data

1. physical property data

1. characteristics: uncertain.

2. density (g/ml,25/4℃): unsure

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

4. melting point (ºc):84 -85°c

5. boiling point (ºc,normal pressure):282-283

6. boiling point (ºc,5.2kpa): unsure

7. refractive index: uncertain

8. flash point (ºc): unsure

9. specific optical rotation (º): unsure

10. autoignition point or ignition temperature (ºc): unsure

11. vapor pressure (kpa,25ºc): unsure

12. saturated vapor pressure (kpa,60ºcexplosion limit (%,v/v): unsure

18. lower explosion limit (%,v/v): unsure

19. solubility:<0.1 g/100 ml at 21°c

toxicological data

1, acute toxicity

rat caliber ld50: >500mg/kg;

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 69.56

2. molar volume (m³/mol）：213.8

3. isotonic specific volume (90.2k):558.7

4. surface tension (dyne/cm):46.5

5. polarizability（10^-24cm³):27.57

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.1

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 54.6

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 320

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet

level2 lfo1; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>2. moore volume (m³/mol): 213.8

3. isotonic specific volume (90.2k):558.7

4. surface tension (dyne/cm):46.5

5. polarizability（10^-24cm³):27.57

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.1

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 54.6

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 320

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet