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:55-48-1

MDL number:None

EINECS number:200-235-0

RTECS number:None

BRN number:None

PubChem number:24860195

Physical property data

1. Characteristics: colorless crystal or White crystalline powder. Odorless. Very bitter taste. Weather in dry air. Highly toxic.

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (oC): Undetermined

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

6. Boiling point (oC,5.2kPa): Not determined

7. Refractive index: Undetermined

8. Flashpoint (oC): Undetermined

9. Specific rotation (o): Undetermined

10. Autoignition point or ignition temperature (oC): Undetermined

12. Saturated vapor pressure (kPa,60oC): Undetermined

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

14. Critical temperature (oC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of the partition coefficient (water): undetermined

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

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

19. Solubility: 1g Dissolved in 0.4ml water , 2.5mlboiling ethanol, 5mlethanol, 2.5mlglycerol, 420mlchloroform, 3000mlether.

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 12

4. Number of rotatable chemical bonds: 10

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA):174

7. Number of heavy atoms: 47

8. Surface charge: 0

9. Complexity: 434

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 6

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

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 3

Properties and stability

None

Storage method

Save in sealed and protected form.

Synthesis method

None

Purpose

Biochemical research. Used for post-holiday anticholinergic drugs; visceral colic and rescue of infection, toxic shock and organophosphorus pesticide poisoning.

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