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.