Chemical Properties of Adenine, 6-n-benzyl-9-cyclopentyl-

InChI

InChI=1S/C17H19N5/c1-2-6-13(7-3-1)10-18-16-15-17(20-11-19-16)22(12-21-15)14-8-4-5-9-14/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,18,19,20)

InChI Key

XBJJYCQQGSHMNQ-UHFFFAOYSA-N

Formula

C17H19N5

SMILES

c1ccc(CNc2ncnc3c2ncn3C2CCCC2)cc1

Molecular Weight¹

293.37

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Adenine, 6-n-benzyl-9-cyclopentyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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