N-Cyclohexyl-p-toluenesulfonamide N-Cyclohexyl-p-toluenesulfonamide
Structural formula
| Business number | 01QU |
|---|---|
| Molecular formula | C13H19NO2S |
| Molecular weight | 253.36 |
| label |
None |
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
