Chemical Properties of Prilocaine (CAS 721-50-6)

InChI

InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)

InChI Key

MVFGUOIZUNYYSO-UHFFFAOYSA-N

Formula

C13H20N2O

SMILES

CCCNC(C)C(=O)Nc1ccccc1C

Molecular Weight¹

220.31

CAS

721-50-6

Other Names

• Propanamide, N-(2-methylphenyl)-2-(propylamino)-
• o-Methyl-2-propylaminopropionanilide
• o-Propionotoluidide, 2-(propylamino)-
• o-Propionotuluidide, 2-propylamino-
• Astra 1512
• Astra 1515
• Citanest
• L-67
• Propitocaine
• 2-Methyl-«alpha»-propylaminopropionanilide
• o-Methyl-«alpha»-propylaminopropionanilide
• «alpha»-n-Propyl-amino-2-methylpropionanilide
• 2-(Propylamino)-o-propionotoluidide
• (.+/-.)-Prilocaine
• NSC 40027

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.35	kJ/mol	Joback Calculated Property
IE	7.77	eV	Relay (1.0) Calculated Property
logPoct/wat	2.322		Crippen Calculated Property
McVol	191.800	ml/mol	McGowan Calculated Property
Inp	[1800.00; 1840.00]
Inp	1800.00		NIST
Inp	1822.00		NIST
Inp	1829.00		NIST
Inp	1800.00		NIST
Inp	1811.00		NIST
Inp	1811.00		NIST
Inp	1800.00		NIST
Inp	1840.00		NIST
Inp	1825.00		NIST
Inp	1800.00		NIST
Inp	1825.00		NIST
Inp	1825.00		NIST
Inp	1822.00		NIST
Inp	1811.00		NIST
Tboil	571.86	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[259.53; 631.78]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.52780e+01
Coefficient B			1.23076e+00
Coefficient C			-7.29260e-04
Coefficient D			1.55560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	259.53	J/mol×K	273.00	Calculated Property
Cp,gas	325.75	J/mol×K	353.78	Calculated Property
Cp,gas	384.61	J/mol×K	434.56	Calculated Property
Cp,gas	436.59	J/mol×K	515.33	Calculated Property
Cp,gas	482.20	J/mol×K	596.11	Calculated Property
Cp,gas	521.92	J/mol×K	676.89	Calculated Property
Cp,gas	556.25	J/mol×K	757.67	Calculated Property
Cp,gas	585.67	J/mol×K	838.44	Calculated Property
Cp,gas	610.69	J/mol×K	919.22	Calculated Property
Cp,gas	631.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Prilocaine.

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.