Chemical Properties of Ketamine (CAS 6740-88-1)

InChI

InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3

InChI Key

YQEZLKZALYSWHR-UHFFFAOYSA-N

Formula

C13H16ClNO

SMILES

CNC1(c2ccccc2Cl)CCCCC1=O

Molecular Weight¹

237.72

CAS

6740-88-1

Other Names

• Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (.+/-.)-
• Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-
• Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (.+/-.)-
• CI 581 base
• CLSTA 20
• Ketaject
• Ketalar base
• 2-(o-Chlorophenyl)-2-(methylamino)cyclohexanone
• 2-(Methylamino)-2-(2-chlorophenyl)cyclohexanone
• (.+/-.)-2-(O-Chlorophenyl)-2-(methylamino)cyclohexanone
• (.+/-.)-Ketamine
• dl-Ketamine
• NSC 70151
• (RS)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[496.62; 593.11]	J/mol×K	[703.71; 963.81]
Cp,gas	496.62	J/mol×K	703.71	Joback Calculated Property
Cp,gas	514.78	J/mol×K	747.06	Joback Calculated Property
Cp,gas	531.88	J/mol×K	790.41	Joback Calculated Property
Cp,gas	548.08	J/mol×K	833.76	Joback Calculated Property
Cp,gas	563.57	J/mol×K	877.11	Joback Calculated Property
Cp,gas	578.53	J/mol×K	920.46	Joback Calculated Property
Cp,gas	593.11	J/mol×K	963.81	Joback Calculated Property
ΔfusH	26.60	kJ/mol	365.70	NIST

Similar Compounds

Find more compounds similar to Ketamine.

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
• Joback Method
• McGowan Method
• NIST Webbook

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