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6505-01-7

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Basic Information
CAS No.: 6505-01-7
Name: 6-PHENYLPURINE
Article Data: 8
Molecular Structure:
Molecular Structure of 6505-01-7 (6-PHENYLPURINE)
Formula: C11H8N4
Molecular Weight: 196.211
Synonyms: 6-PHENYLPURINE;6-phenyl-7H-purine;6-Phenyl-1H-purine
Density: 1.336 g/cm3
Boiling Point: 504.5 °C at 760 mmHg
Flash Point: 250.3 °C
PSA: 54.46000
LogP: 2.01990
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Specification

The 1H-Purine, 6-phenyl- is an organic compound with the formula C11H8N4. The systematic name of this chemical is 6-Phenyl-9H-purine. With the CAS registry number 6505-01-7, it is also named as 7H-Purine, 6-phenyl-. Besides, its molecular weight is 196.208.

Physical properties about 1H-Purine, 6-phenyl- are: (1)ACD/LogP: 1.65; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 7; (5)ACD/BCF (pH 7.4): 7; (6)ACD/KOC (pH 5.5): 147; (7)ACD/KOC (pH 7.4): 140; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 54.46 Å2; (12)Index of Refraction: 1.71; (13)Molar Refractivity: 57.394 cm3; (14)Molar Volume: 146.828 cm3; (15)Polarizability: 22.753×10-24 cm3; (16)Surface Tension: 71.203 dyne/cm; (17)Density: 1.336 g/cm3; (18)Flash Point: 250.3 °C; (19)Enthalpy of Vaporization: 74.47 kJ/mol; (20)Boiling Point: 504.5 °C at 760 mmHg; (21)Vapour Pressure: 8.31E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H8N4/c1-2-4-8(5-3-1)9-10-11(14-6-12-9)15-7-13-10/h1-7H,(H,12,13,14,15)
(2)InChIKey: YTQFOPPEYLNRJT-UHFFFAOYAK
(3)Std. InChI: InChI=1S/C11H8N4/c1-2-4-8(5-3-1)9-10-11(14-6-12-9)15-7-13-10/h1-7H,(H,12,13,14,15)
(4)Std. InChIKey: YTQFOPPEYLNRJT-UHFFFAOYSA-N