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CAS No.: | 1928-77-4 |
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Name: | 6-CHLORO-7-BENZYLPURINE |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C12H9ClN4 |
Molecular Weight: | 244.683 |
Synonyms: | Purine,7-benzyl-6-chloro- (6CI,7CI,8CI);7-Benzyl-6-chloropurine;NSC 25717; |
Density: | 1.4 g/cm3 |
Boiling Point: | 441 °C at 760 mmHg |
Flash Point: | 220.5 °C |
Appearance: | white solid |
PSA: | 43.60000 |
LogP: | 2.52800 |
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The 7H-Purine,6-chloro-7-(phenylmethyl)-, with the CAS registry number 1928-77-4, is also known as 7-Benzyl-6-chloropurine. It belongs to the product categories of Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Nucleotides. This chemical's molecular formula is C12H9ClN4 and molecular weight is 244.68. Its systematic name is called 7-benzyl-6-chloro-7H-purine. This chemical is white solid which can be used as a useful intermediate in the synthesis of 1-substituted adenines.
Physical properties of 7H-Purine,6-chloro-7-(phenylmethyl)-: (1)ACD/LogP: 1.99; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.706; (5)Molar Refractivity: 67.91 cm3; (6)Molar Volume: 174.5 cm3; (7)Surface Tension: 55.1 dyne/cm; (8)Density: 1.4 g/cm3; (9)Flash Point: 220.5 °C; (10)Enthalpy of Vaporization: 69.82 kJ/mol; (11)Boiling Point: 441 °C at 760 mmHg; (12)Vapour Pressure: 5.64E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncnc2ncn(c12)Cc3ccccc3
(2)InChI: InChI=1/C12H9ClN4/c13-11-10-12(15-7-14-11)16-8-17(10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
(3)InChIKey: QOJVQOWYMWBZNC-UHFFFAOYAG