alloxantin alloxantin

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:76-24-4

mdl number:mfcd00042797

einecs number:200-947-1

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. properties: white crystalline powder.

2. density (g/ml, 25/4℃): undetermined

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

4. melting point (ºc): 250

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

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

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation (º): undetermined

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

11. vapor pressure (kpa, 25ºc): 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. 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: soluble in hot water, slightly soluble in cold water ethanol and ether. aqueous solutions are acidic.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 52.10

2. molar volume (cm³/mol): 140.5

3. isotonic specific volume (90.2k ): 461.9

4. surface tension (dyne/cm): 116.8

5. polarizability (10^-24cm³): 20.65

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): -4

2. hydrogen bondingnumber of donors: 6

3. number of hydrogen bond acceptors: 8

4. number of rotatable chemical bonds: 1

5. tautomers number: 15

6. topological molecular polar surface area (tpsa): 191

7. number of heavy atoms: 20

8. surface charge: 0

9. complexity: 503

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. the number of uncertain atomic stereocenters: 0

13. the number of determined chemical bond stereocenters: 0

14. the number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

this product should be kept sealed.

synthesis method

none

purpose

verification and determination of iron.