4-chloro-2,6-diaminopyrimidine

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:156-83-2

mdl number:mfcd00006097

einecs number:205-863-9

rtecs number:none

brn number:205-863-9

pubchem number:24892606

physical property data

none yet

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index:35.80

2. molar volume（cm³/mol）：92.3

3. isotonic specific volume（ 90.2k) ：283.1

4. surface tension（dyne/cm) : 88.1

5. dielectric constant: none

6. dipole moment（10^-24cm³）：none available

7. polarizability:14.19

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.5

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 0

5. number of tautomers: 9

6. topological molecule polar surface area 77.8

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 98.6

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet

according to

1. reference value for hydrophobic parameter calculation (xlogp): 0.5

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 0

5. number of tautomers: 9

6. topological molecule polar surface area 77.8

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 98.6

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet