structural formula
| business number | 0197 |
|---|---|
| molecular formula | c12h13cln4 |
| molecular weight | 248.71 |
| label |
6-ethyl-5-(4-chlorophenyl)-2,4-pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-2,4-pyrimidinediamine |
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
