Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3,7-dibenzylpurine-2,6-dione |
EINECS | N/A |
CAS No. | 139927-86-9 | Density | 1.32 g/cm3 |
PSA | 72.94000 | LogP | 2.39520 |
Solubility | N/A | Melting Point |
N/A |
Formula | C19H16N4O2 | Boiling Point | N/A |
Molecular Weight | 332.362 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,7-Dibenzyl-3,7-dihydro-purine-2,6-dione; 3,7-dibenzyl-3,7-dihydro-1H-purine-2,6-dione |
Article Data | 2 |
The 3,7-Dibenzylpurine-2,6-dione is an organic compound with the formula C19H16N4O2. The IUPAC name of this chemical is 3,7-Dibenzylpurine-2,6-dione. The CAS registry number of this chemical is 139927-86-9. Besides, its molecular weight is 332.3559.
Physical properties about 3,7-Dibenzylpurine-2,6-dione are: (1)ACD/LogP: 2.73; (2)ACD/LogD (pH 5.5): 2.73; (3)ACD/LogD (pH 7.4): 2.72; (4)ACD/BCF (pH 5.5): 69.45; (5)ACD/BCF (pH 7.4): 68.99; (6)ACD/KOC (pH 5.5): 724.22; (7)ACD/KOC (pH 7.4): 719.48; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 58.44 Å2; (12)Index of Refraction: 1.691; (13)Molar Refractivity: 95.63 cm3; (14)Molar Volume: 249.9 cm3; (15)Polarizability: 37.91×10-24 cm3; (16)Surface Tension: 57.3 dyne/cm; (17)Density: 1.32 g/cm3.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C19H16N4O2/c24-18-16-17(20-13-22(16)11-14-7-3-1-4-8-14)23(19(25)21-18)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,24,25)
(2)InChIKey: GMANCBOGUXSDSL-UHFFFAOYAU
(3)Std. InChI: InChI=1S/C19H16N4O2/c24-18-16-17(20-13-22(16)11-14-7-3-1-4-8-14)23(19(25)21-18)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,24,25)
(4)Std. InChIKey: GMANCBOGUXSDSL-UHFFFAOYSA-N