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aminopurine

Aminopurine Structural Formula

Structural formula

Business number 016G
Molecular formula C19H24N8O7
Molecular weight 440.41
label

4-Amino-PGA,

4-Aminofolic acid,

4-Aminopteroyl-L-glutamic acid

Numbering system

CAS number:54-62-6

MDL number:MFCD00036692

EINECS number:200-209-9

RTECS number:MA1050000

BRN number:69045

PubChem number:24278186

Physical property data

1. Traits: Yellow needle-like crystals. Sensitive to light and air.


2. Density (g/mL,25/4): Undetermined


3. relative steam Density (g/mL,Air=1) : Undetermined


4. Melting point (ºC): 230~235(decomposition)


5. Boiling point (ºC, often pressure): Undetermined


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive Index: Undetermined


8. Flash point (ºC) : Undetermined


9. Specific rotation (º, C=1, 0.1mol/LSodium hydroxide solution):[α]D20 +18±2°


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. Oil and water (octanol/Log value of water) partition coefficient: Undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Soluble in sodium hydroxide solution.

Toxicological data

None

Ecological data

None

Molecular structure data


1. Molar refractive index: 114.27


2. Molar volume (m3/mol):277.1


3. isotonic specific volume (90.2K):883.6


4. Surface Tension (dyne/cm):103.3


5. Polarizability10-24cm3): 45.30

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):-2


2. Number of hydrogen bond donors: 6


3. Number of hydrogen bond acceptors: 12


4. Number of rotatable chemical bonds: 9


5. Number of tautomers: 36


6. Topological molecular polar surface area (TPSA):219


7. Number of heavy atoms: 32


8. Surface charge: 0


9. Complexity: 674


10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 1


12. The number of uncertain atomic stereocenters: 0


13. Determine the number of stereocenters of chemical bonds: 0


14. Uncertain number of chemical bond stereocenters: 0


15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed, dry and protected from light.

Synthesis method

None

Purpose

Anti-tumor drugs. It can be used to treat psoriasis skin disease and can also be used to treat acute and subacute childhood leukemia.


Biochemical research. Antifolates.

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