N-Cyclohexyl-p-toluenesulfonamide N-Cyclohexyl-p-toluenesulfonamide

Structural formula

Business number	01QU
Molecular formula	C13H19NO2S
Molecular weight	253.36
label	None

• 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