purine purine
structural formula
| business number | 03cr |
|---|---|
| molecular formula | c5h4n4 |
| molecular weight | 120.11 |
| label |
purine (reagent), purine, imidazopyrimidine, 7h-imidazole[4,5-d]pyrimidine, 1h-purine, 3,5,7-triazaindole, 6h-imidazo[4,5-d]pyrimidine, 7h-purine, beta-purine, imidazo(4,5-d)pyrimidine, isopurine, nsc 753, heterocyclic compounds |
numbering system
cas number:120-73-0
mdl number:mfcd00079221
einecs number:204-421-2
rtecs number:uo7450000
brn number:3200
pubchem number:24898231
physical property data
none yet
toxicological data
1. acute toxicity: rat peritoneal cavity ld50: 800mg/kg
2. oncogenic toxicity: rat subcutaneous tdlo: 156mg/kg/8w-i
3. mutagenic toxicity: e. coli phage inhibitory ability: 1g/l
ecological data
none yet
molecular structure data
1. molar refractive index: 32.80
2. molar volume (cm3/mol): 81.5
3. isotonic specific volume (90.2k ): 253.1
4. surface tension (dyne/cm): 92.8
5. dielectric constant:
6. dipole moment (10-24cm3):
7. polarizability: 13.00
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 0
5. number of tautomers: 4
6. topological molecule polar surface area 54.5
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 105
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
