structural formula
| business number | 01zt |
|---|---|
| molecular formula | c8h10n2o4s |
| molecular weight | 230.24 |
| label |
4-acetamido-2-aminobenzenesulfonic acid, 5-acetamidoaniline-2-sulfonic acid, 2-amino-4-acetylamidobenzenesulfonic acid, 4-acetamido-2-aminobenzenesulfonic acid, 3′-amino-4′-sulfoacetanilide |
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
