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
p>
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.