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| CAS No.: | 92193-74-3 |
|---|---|
| Name: | N2-acetamido-6-benzyloxypurine |
| Molecular Structure: | |
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| Formula: | C14H13N5O2 |
| Molecular Weight: | 283.29 |
| Synonyms: | N2-Acetamido-6-benzyloxypurine; |
| Density: | 1.382 g/cm3 |
| PSA: | 92.79000 |
| LogP: | 1.96330 |
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- Total:12 Page 1 of 1 1
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Specification
The Acetamide,N-[6-(phenylmethoxy)-9H-purin-2-yl]-, with the CAS registry number 92193-74-3, is also known as N2-Acetamido-6-benzyloxypurine. This chemical's molecular formula is C14H13N5O2 and molecular weight is 283.29. What's more, its systematic name is N-(6-benzyloxypurin-3-yl)acetamide.
Physical properties of Acetamide,N-[6-(phenylmethoxy)-9H-purin-2-yl]- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 18.563; (5)ACD/KOC (pH 7.4): 18.751; (6)#H bond acceptors: 7; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 78.65 Å2; (10)Index of Refraction: 1.682; (11)Molar Refractivity: 77.647 cm3; (12)Molar Volume: 205.019 cm3; (13)Polarizability: 30.782×10-24cm3; (14)Surface Tension: 56.058 dyne/cm; (15)Density: 1.382 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)Nn1cnc(c-2ncnc12)OCc3ccccc3
(2)Std. InChI: InChI=1S/C14H13N5O2/c1-10(20)18-19-9-17-14(12-13(19)16-8-15-12)21-7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,18,20)
(3)Std. InChIKey: ZXTMKBHTXDMVTN-UHFFFAOYSA-N