Chemical Properties of (3-Carboxy-2-hydroxypropyl)trimethylammonium chloride (CAS 461-05-2)

InChI

InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H

InChI Key

JXXCENBLGFBQJM-UHFFFAOYSA-N

Formula

C7H16ClNO3

SMILES

C[N+](C)(C)CC(O)CC(=O)O.[Cl-]

Molecular Weight¹

197.66

CAS

461-05-2

Other Names

• DL-carnitine hydrochloride

• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, 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 (3-Carboxy-2-hydroxypropyl)trimethylammonium chloride.

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.
• NIST Webbook

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