Chemical Properties of 1-Benzylpiperazine (CAS 2759-28-6)

InChI

InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2

InChI Key

IQXXEPZFOOTTBA-UHFFFAOYSA-N

Formula

C11H16N2

SMILES

c1ccc(CN2CCNCC2)cc1

Molecular Weight¹

176.26

CAS

2759-28-6

Other Names

• N-Benzylpiperazine
• Piperazine, 1-(phenylmethyl)-
• Benzylpiperazine
• Piperazine, 1-benzyl-
• 4-Benzylpiperazine
• BZP
• N-(Phenylmethyl)piperazine
• NSC 40889

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 1-Benzylpiperazine.

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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