4-acetamido-2-aminobenzenesulfonic acid hydrate
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
