adrenalone hydrochloride adrenalone hydrochloride

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:62-13-5

mdl number:mfcd00035075

einecs number:200-525-7

rtecs number:am8225000

brn number:3916102

pubchem number:24845247

physical property data

1. properties: uncertain

2. density (g/ml, 25/4℃): uncertain

3. relative vapor density (g/ml, air =1): uncertain

4. melting point (ºc): 244-249 (dec.)

5. boiling point (ºc, normal pressure): uncertain

6. boiling point (ºc, 5.2kpa): uncertain

7. refractive index: uncertain

8. flash point (ºc): uncertain

9. specific rotation (º): uncertain

10. autoignition point or ignition temperature (ºc): uncertain

11. vapor pressure (kpa, 25ºc ): uncertain

12. saturated vapor pressure (kpa, 60ºc): uncertain

13. heat of combustion (kj/mol): uncertain

14. critical temperature (ºc): uncertain

15. critical pressure (kpa): uncertain

16. log value of oil-water (octanol/water) partition coefficient: uncertain ok

17. explosion upper limit (%, v/v): uncertain

18. explosion lower limit (%, v/v): uncertain

19. solubility: uncertain

toxicological data

acute toxicity: rat subcutaneous injection ldlo: 80 mg/kg; mouse intraperitoneal ld50: 902 mg/kg

ecological data

none yet

molecular structure data

1. molar refractive index: 48.27

2. molar volume (cm³/mol): 143.1

3. isotonic specific volume (90.2k): 390.2

4. surface tension (dyne/cm): 55.2

5. polarizability (10^-24cm³): 19.13

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: 4

4. number of rotatable chemical bonds: 3

5. number of tautomers: 47

6. topological molecule polar surface area 69.6

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 184

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 2

properties and stability

none yet

storage method

the argon-filled product should be sealed, dry and protected from light.

synthesis method

none yet

purpose

1.biochemical research