Chemical Properties of 1-Acetyl-4-piperidinecarboxylic acid (CAS 25503-90-6)

InChI

InChI=1S/C8H13NO3/c1-6(10)9-4-2-7(3-5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)

InChI Key

WFCLWJHOKCQYOQ-UHFFFAOYSA-N

Formula

C8H13NO3

SMILES

CC(=O)N1CCC(C(=O)O)CC1

Molecular Weight¹

171.19

CAS

25503-90-6

Other Names

• 1-Acetylpiperidine-4-carboxylic acid
• 4-Piperidinecarboxylic acid, 1-acetyl-

• 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).
• 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 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-Acetyl-4-piperidinecarboxylic acid.

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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