acetylsamine

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:97-44-9

MDL number:MFCD00019936

EINECS number:202-582-3

RTECS number:CF8400000

BRN number:None

PubChem number:24890414

Physical property data

1. Properties: White prismatic crystals, odorless.

2. Density (g/mL, 20℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 240-250℃ (decomposition)

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, KPa) : Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Not determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 20.2ºC): Not determined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion Upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Slightly soluble in cold water and ethanol and dilute acids, soluble in boiling water, caustic alkali solutions or carbonic acid alkali solutions.

Toxicological data

Rat oral LD₅₀ is 4mg/kg

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 10

6. Topological molecule polar surface area 107

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 289

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain.Number of ��stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Highly toxic.

Storage method

Stored sealed and protected from light.

Synthesis method

Originated from acetylation of 1.3-amino-4-hydroxyphenylarsonic acid. Add 3-amino-4-hydroxyphenylarsonic acid to 5% sodium hydroxide solution and stir until completely dissolved. Adjust pH to 8, heat to 30-35°C, add acetic anhydride under vigorous stirring to precipitate, continue stirring for 1 hour, add hydrochloric acid at 55-60°C to precipitate crystals, filter, and wash with water to obtain crude acetylsamine. Refining: Dissolve the crude product in 5% sodium hydroxide solution, add activated carbon, stir, filter, and slowly add 10% sulfuric acid to the filtrate to make the Congo red test paper turn blue and precipitate crystals. Filter and wash to obtain refined acetylsamine.

Purpose

1. Medicine. Disinfectant, has the effect of killing trichomoniasis, and is used to treat vaginal trichomoniasis. It is often made into Diweijing tablets, each tablet contains 0.25g of acetylsamine and 0.30g of boric acid.

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