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CAS No.: | 1670-62-8 |
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Name: | 2-(6-Chloro-purin-9-yl)-ethanol |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C7H7ClN4O |
Molecular Weight: | 198.612 |
Synonyms: | NSC33196; |
Density: | 1.65 g/cm3 |
Boiling Point: | 409.9 °C at 760 mmHg |
Flash Point: | 201.7 °C |
PSA: | 63.83000 |
LogP: | 0.47200 |
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The 9H-Purine-9-ethanol,6-chloro- is an organic compound with the formula C7H7ClN4O. The IUPAC name of this chemical is 2-(6-Chloropurin-9-yl)ethanol. With the CAS registry number 1670-62-8, it is also named as 2-(6-Chloro-9H-purin-9-yl)ethanol. Besides, its molecular weight is 198.6097.
Physical properties about 9H-Purine-9-ethanol,6-chloro- are: (1)ACD/LogP: -0.23; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 52.83 Å2; (6)Index of Refraction: 1.739; (7)Molar Refractivity: 48.27 cm3; (8)Molar Volume: 119.7 cm3; (9)Polarizability: 19.13×10-24 cm3; (10)Surface Tension: 67.3 dyne/cm; (11)Density: 1.65 g/cm3; (12)Flash Point: 201.7 °C; (13)Enthalpy of Vaporization: 69.82 kJ/mol; (14)Boiling Point: 409.9 °C at 760 mmHg; (15)Vapour Pressure: 1.87E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H7ClN4O/c8-6-5-7(10-3-9-6)12(1-2-13)4-11-5/h3-4,13H,1-2H2
(2)InChIKey: ZSHDQQJQYPKAIA-UHFFFAOYAO
(3)Std. InChI: InChI=1S/C7H7ClN4O/c8-6-5-7(10-3-9-6)12(1-2-13)4-11-5/h3-4,13H,1-2H2
(4)Std. InChIKey: ZSHDQQJQYPKAIA-UHFFFAOYSA-N