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

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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