Chemical Properties of TOLYCAINE

TOLYCAINE

InChI
InChI=1S/C15H22N2O3/c1-5-17(6-2)10-13(18)16-14-11(3)8-7-9-12(14)15(19)20-4/h7-9H,5-6,10H2,1-4H3,(H,16,18)
InChI Key
UDKICLZCJWQTLS-UHFFFAOYSA-N
Formula
C15H22N2O3
SMILES
CCN(CC)CC(=O)Nc1c(C)cccc1C(=O)OC
Molecular Weight1
278.35
Other Names
  • Benzoic acid, 2-[[(diethylamino)acetyl]amino]-3-methyl-, methyl ester
  • Methyl 2-[2-(diethylamino)acetamido]-m-toluate
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Physical Properties

Property Value Unit Source
ΔfH°gas -510.51 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 41.96 kJ/mol Joback Calculated Property
IE 7.51 eV Relay (1.0) Calculated Property
log10WS -2.33 Relay (1.0) Calculated Property
logPoct/wat 2.062 Crippen Calculated Property
McVol 227.420 ml/mol McGowan Calculated Property
Pc 1927.05 kPa Joback Calculated Property
Tboil 604.62 K Relay (1.0) Calculated Property
Tfus 357.60 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [655.84; 729.25] J/mol×K [754.14; 956.90] Show Hide
Cp,gas 655.84 J/mol×K 754.14 Joback Calculated Property
Cp,gas 670.50 J/mol×K 787.93 Joback Calculated Property
Cp,gas 684.16 J/mol×K 821.73 Joback Calculated Property
Cp,gas 696.83 J/mol×K 855.52 Joback Calculated Property
Cp,gas 708.55 J/mol×K 889.31 Joback Calculated Property
Cp,gas 719.35 J/mol×K 923.10 Joback Calculated Property
Cp,gas 729.25 J/mol×K 956.90 Joback Calculated Property

Similar Compounds

Pyrrocaine. Carteolol, PFB-TMS. cyclomegistine. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Sophoramine. Oxycodone. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. risperidone. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv.. Oxymorphone. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Oxycodone tms derivative. Oxymorphone, bis(trimethylsilyl) ether. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Naloxone.

Find more compounds similar to TOLYCAINE.

Sources

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