Chemical Properties of Pyridinium, 1-(benzoylamino)-4-methyl-, hydroxide, inner salt (CAS 32363-75-0)

InChI

InChI=1S/C13H12N2O/c1-11-7-9-15(10-8-11)14-13(16)12-5-3-2-4-6-12/h2-10H,1H3

InChI Key

BKCJEFFBFUEEQD-UHFFFAOYSA-N

Formula

C13H12N2O

SMILES

Cc1cc[n+]([N-]C(=O)c2ccccc2)cc1

Molecular Weight¹

212.25

CAS

32363-75-0

Other Names

• 4-Picolinium, 1-benzamido-, hydroxide, inner salt
• N-Benzoylimino-4-methylpyridinium betaine

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, 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 Pyridinium, 1-(benzoylamino)-4-methyl-, hydroxide, inner salt.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.