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The systematic name of 8-Aminopurine is 9H-purin-8-amine. With the CAS registry number 20296-09-7, it is also named as 8-Amino-7H-purine. The product's categories are Pyrimidine; Purines. In addition, its molecular formula is C5H5N5 and its molecular weight is 135.13.
The other characteristics of 8-Aminopurine can be summarized as: (1)ACD/LogP: -0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 80.48 Å2; (13)Index of Refraction: 1.837; (14)Molar Refractivity: 37.039 cm3; (15)Molar Volume: 83.823 cm3; (16)Polarizability: 14.683×10-24cm3; (17)Surface Tension: 122.712 dyne/cm; (18)Density: 1.612 g/cm3; (19)Flash Point: 239.253 °C; (20)Enthalpy of Vaporization: 67.735 kJ/mol; (21)Boiling Point: 423.073 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Nc1nc2ncncc2n1
(2)InChI: InChI=1/C5H5N5/c6-5-9-3-1-7-2-8-4(3)10-5/h1-2H,(H3,6,7,8,9,10)
(3)InChIKey: IKZRFGGARFKJOA-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C5H5N5/c6-5-9-3-1-7-2-8-4(3)10-5/h1-2H,(H3,6,7,8,9,10)
(5)Std. InChIKey: IKZRFGGARFKJOA-UHFFFAOYSA-N