8-azaguanine

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:134-58-7

mdl number:mfcd00056937

einecs number:205-148-1

rtecs number:xz6157000

brn number:171098

pubchem number:24890963

physical property data

1. properties: colorless crystals. decomposes without melting above 300℃.

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): undetermined determined

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. saturation 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 dilute acid and alkali, almost insoluble in water, ethanol and ether.

toxicological data

none

ecological data

none

molecular structure data

molecular property data:

1. molar refractive index: 33.91

2. molar volume (cm³/mol): 57.4

3. isotonic specific volume (90.2k): 210.8

4. surface tension (3.0 dyne/cm): 181.5

5. polarizability (0.5 10^-24cm³): 13.44

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -0.9

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 3

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4. number of rotatable chemical bonds: 0

5. number of tautomers: 34

6. topological molecule polar surface area 104

7. number of heavy atoms���:11

8. surface charge: 0

9. complexity: 313

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: 1

properties and stability

none

storage method

seal and save.

synthesis method

none

purpose

1. purine antimetabolites. biochemical research.

2.anti-cancer drugs. used for leukemia, uterine cancer, breast cancer, bone cancer, lung cancer, rectal cancer, sarcoma, etc.