Chemical Properties of Anastrozole (CAS 120511-73-1)

InChI

InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3

InChI Key

YBBLVLTVTVSKRW-UHFFFAOYSA-N

Formula

C17H19N5

SMILES

CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1

Molecular Weight¹

293.37

CAS

120511-73-1

Other Names

• Arimidex
• 1,3-Benzenediacetonitrile, «alpha»1,«alpha»1,«alpha»3,«alpha»3-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-
• 1,3-Benzenediacetonitrile, a1,a1,a3,a3-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-

• 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 Anastrozole.

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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