Chemical Properties of Tolycaine (CAS 3686-58-6)

Tolycaine

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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
CAS
3686-58-6
Other Names
  • Benzoic acid, 2-[[(diethylamino)acetyl]amino]-3-methyl-, methyl ester
  • Methyl 2-[2-(diethylamino)acetamido]-m-toluate
Sources

Physical Properties

Property Value Unit Source
Δf 5.90 kJ/mol Joback Calculated Property
Δfgas -375.72 kJ/mol Joback Calculated Property
Δfus 40.38 kJ/mol Joback Calculated Property
Δvap 76.97 kJ/mol Joback Calculated Property
logPoct/wat 2.06 Crippen Calculated Property
Pc 1998.33 kPa Joback Calculated Property
Tboil 772.01 K Joback Calculated Property
Tc 976.81 K Joback Calculated Property
Tfus 517.49 K Joback Calculated Property
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 660.89 J/mol×K 772.01 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 4
=CH- (ring) 3
>N- 1
=C< (ring) 3
-CH2- 3
>NH 1
>C=O (nonring) 2

Similar Compounds

Benzoic acid, 2-(acetylamino)-, methyl ester. Methyl N-formylanthranilate. Benzoic acid, 2-(formylamino)-, methyl ester. Benzoic acid, 2-(isopropyl)amino-, methyl ester. 5H-4,1-benzoxazepine-2,5-dione,1,2-dihydro-1-methyl-. Benzoic acid, 2-(propylamino)-, methyl ester. Methyl 2-(isopentylamino)benzoate. Benzoic acid, 2-(3-methylbutyl)amino-, methyl ester. Benzoic acid, 2-hydroximinoacetylamino-. Benzoic acid, 2-ethylamino-, ethyl ester. Benzoic acid, 2-(2-methylpropyl)amino-, methyl ester. Benzoic acid, 2-propylamino-, propyl ester. Anthranilic acid, n-glycoloyl-n-methyl-. Benzoic acid, 2-(2-methylbutyl)amino-, methyl ester. Benzoic acid, 2-di(isopropyl)amino-, methyl ester.

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