4-acetamido-2-aminobenzenesulfonic acid hydrate

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:88-64-2

mdl number:mfcd00035752

einecs number:204-443-2

rtecs number:ae7050000

brn number:none

pubchem id:none

physical property data

none

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 53.74

2. molar volume (cm³/mol): 147.5

3. isotonic specific volume (90.2k ): 440.0

4. surface tension (dyne/cm): 79.0

5. polarizability (10-24cm3): 21.30

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): -0.3

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 5

p>

4. number of rotatable chemical bonds: 2

5. number of tautomers: 2

6. topological molecular polar surface area (tpsa): 110

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 335

10. isotopic atoms quantity: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the chemical bond positions number of 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