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CAS No.: | 26227-04-3 |
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Name: | (E)-bis(5H-purin-6-yl)diazene |
Molecular Structure: | |
Formula: | C10H6N10 |
Molecular Weight: | 266.22 |
Synonyms: | Purine,6,6'-azodi- (8CI);6,6'-Azopurine;NSC 529746; |
Density: | 2.1 g/cm3 |
Boiling Point: | 826 °C at 760 mmHg |
Flash Point: | 453.3 °C |
PSA: | 133.64000 |
LogP: | 1.43460 |
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This chemical is called 6,6'-Azopurine, and its systematic name is 6,6'-Azobis-1H-purine. With the molecular formula of C10H6N10, its molecular weight is 266.22. The CAS registry number of this chemical is 26227-04-3.
Other characteristics of the 6,6'-Azopurine can be summarised as followings: (1)ACD/LogP: -1.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.63; (4)ACD/LogD (pH 7.4): -3.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.3; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 111.92 Å2; (13)Index of Refraction: 2.141; (14)Molar Refractivity: 68.97 cm3; (15)Molar Volume: 126.7 cm3; (16)Polarizability: 27.34×10-24cm3; (17)Surface Tension: 119.4 dyne/cm; (18)Density: 2.1 g/cm3; (19)Flash Point: 453.3 °C; (20)Enthalpy of Vaporization: 115.9 kJ/mol; (21)Boiling Point: 826 °C at 760 mmHg; (22)Vapour Pressure: 2.31E-26 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n3c(/N=N/c2ncnc1ncnc12)c4c(nc3)ncn4
2.InChI: InChI=1/C10H6N10/c1-11-5-7(13-1)15-3-17-9(5)19-20-10-6-8(14-2-12-6)16-4-18-10/h1-4H,(H,11,13,15,17)(H,12,14,16,18)/b20-19+
3.InChIKey: POEBWGYSGSGSNY-FMQUCBEEBJ