Structural formula
| Business number | 03ZV |
|---|---|
| Molecular formula | C4H6N4 |
| Molecular weight | 110.12 |
| label |
None |
Numbering system
CAS number:156-81-0
MDL number:MFCD00038023
EINECS number:205-862-3
RTECS number:None
BRN number:None
PubChem number:24870498
Physical property data
None yet
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Moore refraction Rate: 30.90
2. Molar Volume （cm3/mol）：80.4
3. Isotonic specific volume（90.2K）：247.2
4. Surface Tension （dyne/ cm): 89.2
5. Dielectric Constants: None available
6. Dipole Distance（10 -24cm3)：Not available
7, Polarization Rate: 12.25
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: 8
8. Surface charge: 0
9. Complexity: 74.4
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
Arion polar surface area 77.8
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 74.4
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
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