androstenedione

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:53-41-8

MDL number:MFCD00003618

EINECS number:200-173-4

RTECS number:BV8053000

BRN number:2217626

PubChem number:24869692

Physical property data

1. Character:White crystal or powder. Odorless. Sublime in a vacuum. Not precipitated by digitonin.

2. Density ( g/mL,25/4℃): Undetermined

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

4. Melting point ( ºC): 185～185.5

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

6. Boiling point ( ºC,5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º）： +94.6° (C＝0.7, in anhydrous ethanol),[α]_D¹⁵ +87.8°（C＝1.5, in dioxane).

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

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturation 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/Water) partition coefficient pair Value: Undetermined

17. Explosion limit (%,V/V): Not OK

18. Lower explosion limit (%,V/V): Not OK

19. Solubility :Soluble in most organic solvents ,Insoluble in water.

Toxicological data

1, reproductive toxicity: male rats subcutaneously TDLo: 8400ug/kg, 21 days before mating; intramuscular TDLo in female rats: 80mg/kg, 13-20 days later to conceive

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 83.49

2. Molar volume (m³/mol）：267.6

3. isotonic ratio(90.2K)：677.7

4. Surface Tension(dyne/cm)：41.1

5. Polarizability(10-24cm³)：33.10

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 459

10. Number of isotope atoms: 0

11. Determine the atomsNumber of stereocenters: 7

12. Number of uncertain atomic stereocenters: 0

13. Determined number of stereocenters of chemical bonds: 0

14 .The number of uncertain chemical bond stereocenters: 0

15. The number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be kept sealed.

Synthesis method

None yet

Purpose

Biochemical research . Androgens and anabolic hormones.

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