4-chloro-2,6-diaminopyrimidine
structural formula
| business number | 03zw |
|---|---|
| molecular formula | c4h5cln4 |
| molecular weight | 144.56 |
| label |
none |
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
