Chemical Properties of Cyclohexanol, 2-(9h-purin-9-yl)-, trans- (CAS 100057-61-2)

InChI

InChI=1S/C11H14N4O/c16-10-4-2-1-3-9(10)15-7-14-8-5-12-6-13-11(8)15/h5-7,9-10,16H,1-4H2

InChI Key

VJLPIPHTBGYWGJ-UHFFFAOYSA-N

Formula

C11H14N4O

SMILES

OC1CCCCC1n1cnc2cncnc21

Molecular Weight¹

218.26

CAS

100057-61-2

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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 Cyclohexanol, 2-(9h-purin-9-yl)-, trans-.

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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