Chemical Properties of Tetracaine (CAS 94-24-6)

InChI

InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3

InChI Key

GKCBAIGFKIBETG-UHFFFAOYSA-N

Formula

C15H24N2O2

SMILES

CCCCNc1ccc(C(=O)OCCN(C)C)cc1

Molecular Weight¹

264.36

CAS

94-24-6

Other Names

• 2-(Dimethylamino)ethyl p-(butylamino)benzoate
• 2-Dimethylaminoethylester kyseliny p-butylaminobenzoove
• Amethocaine
• Anetain
• Benzoic acid, 4-(butylamino)-, 2-(dimethylamino)ethyl ester
• Benzoic acid, p-(butylamino)-, 2-(dimethylamino)ethyl ester
• Butylocaine
• Contralgin
• Diaethylaminoaethanol ester der p-butylaminobenzoesaeure
• Dicain
• Dicaine
• Dikain
• Dimethylaminoethyl p-butyl-aminobenzoate
• Fissucain
• Intercain
• Landocaine
• Laudocaine
• Medicaine
• Medihaler-tetracaine
• Meethobalm
• Metraspray
• Mucaesthin
• Niphanoid
• Pontocaine
• Rexocaine
• Tetrakain
• Uromucaesthin
• p-(Butylamino)benzoic acid, 2-(dimethylamino)ethyl ester
• «beta»-Dimethylaminoethyl p-butylaminobenzoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7948		Relay (1.0) Calculated Property
ΔfusH°	40.75	kJ/mol	Joback Calculated Property
IE	7.42	eV	Relay (1.0) Calculated Property
log10WS	-3.01		Aq. Solubility Prediction
logPoct/wat	2.617		Crippen Calculated Property
McVol	225.850	ml/mol	McGowan Calculated Property
Pc	1848.33	kPa	Joback Calculated Property
Inp	[2197.00; 2235.00]
Inp	2224.00		NIST
Inp	2229.00		NIST
Inp	2218.00		NIST
Inp	2221.00		NIST
Inp	2212.00		NIST
Inp	2212.00		NIST
Inp	2215.00		NIST
Inp	2219.00		NIST
Inp	2230.00		NIST
Inp	2235.00		NIST
Inp	Outlier 2197.00		NIST
Inp	2219.00		NIST
Inp	2224.00		NIST
Tboil	623.13	K	Relay (1.0) Calculated Property
Tc	818.37	K	Relay (1.0) Calculated Property
Tfus	342.46	K	Relay (1.0) Calculated Property
Vc	0.826	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation 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	[636.93; 721.17]	J/mol×K	[695.29; 890.50]
Cp,gas	636.93	J/mol×K	695.29	Joback Calculated Property
Cp,gas	653.38	J/mol×K	727.83	Joback Calculated Property
Cp,gas	668.82	J/mol×K	760.36	Joback Calculated Property
Cp,gas	683.29	J/mol×K	792.90	Joback Calculated Property
Cp,gas	696.82	J/mol×K	825.43	Joback Calculated Property
Cp,gas	709.43	J/mol×K	857.97	Joback Calculated Property
Cp,gas	721.17	J/mol×K	890.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetracaine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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