4-amino-2-tolyl-1-sulfonic acid

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:133-78-8

mdl number:mfcd00035774

einecs number:205-120-9

rtecs number:xt6325000

brn number:none

pubchem id:none

physical property data

none

toxicological data

skin/eye irritation data

rabbit eye contact ：500mg/24h

ecological data

none

molecular structure data

5. molecular property data:

1、 molar refractive index：45.54

2, molar volume（m³/mol):126.4

3, isotonic specific volume（90.2k）：365.3

4, surface tension（3.0 dyne/cm span>): 69.7

5, polarizability（ 0.5 10^-24cm³): 18.05

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.4

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 88.8

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 244

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

bsp; polarizability（0.5 10^-24cm ³):18.05

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.4

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 88.8

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 244

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