Chemical Properties of 7H-tetrazolo[5,1-i]purine, 7-benzyl- (CAS 10553-44-3)

InChI

InChI=1S/C12H9N7/c1-2-4-9(5-3-1)6-18-7-13-10-11(18)14-8-19-12(10)15-16-17-19/h1-5,7-8H,6H2

InChI Key

HOHUVIRJDOLSQB-UHFFFAOYSA-N

Formula

C12H9N7

SMILES

c1ccc(Cn2cnc3c2ncn2nnnc32)cc1

Molecular Weight¹

251.25

CAS

10553-44-3

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to 7H-tetrazolo[5,1-i]purine, 7-benzyl-.

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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