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