8-azaguanine
structural formula
| business number | 03pk |
|---|---|
| molecular formula | c4h4n6o |
| molecular weight | 152.12 |
| label |
2-amino-6-hydroxy-8-azapurine, guanazolo, azan, 8-ag, 8-azaguanine; cancer powder; 5-amino-7-hydroxy-1h triazolo[4,5-d] pyrimidine;, aromatic compounds |
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.
