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
