pyrimethamine pyrimethamine

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:58-14-0

mdl number:mfcd00057350

einecs number:200-364-2

rtecs number:uv8140000

brn number:219864

pubchem number:24870381

physical property data

none

toxicological data

none

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 69.94

2. molar volume (m³/mol）：190.4

3. isotonic specific volume (90.2k):533.0

4. surface tension (dyne/cm):61.3

5. polarizability（10^-24cm³): 27.72

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 2

5. number of tautomers: 17

6. topological molecule polar surface area 77.8

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 243

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

none

synthesis method

none

purpose

none