Chemical Properties of Benoxinate (CAS 99-43-4)

Benoxinate

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3
InChI Key
CMHHMUWAYWTMGS-UHFFFAOYSA-N
Formula
C17H28N2O3
SMILES
CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N
Molecular Weight1
308.42
CAS
99-43-4
Other Names
  • 2-(Diethylamino)ethyl 4-amino-3-butoxybenzoate
  • 4-Amino-3-butoxybenzoic acid 2-diethylaminoethyl ester
  • 4-Amino-3-n-butoxy-benzoesaeure-diaethylaminoaethylester
  • Benoxil
  • Benoxinate
  • Conjucain
  • Dorsacain
  • Novesinol
  • Oxibuprokain
  • Oxybucaine
  • Oxybuprocaine
  • Oxyriprocaine
  • Prescaina
  • S 749
Sources

Physical Properties

Property Value Unit Source
Δf 23.72 kJ/mol Joback Calculated Property
Δfgas -456.32 kJ/mol Joback Calculated Property
Δfus 45.24 kJ/mol Joback Calculated Property
Δvap 81.29 kJ/mol Joback Calculated Property
logPoct/wat 2.95 Crippen Calculated Property
Pc 1645.76 kPa Joback Calculated Property
Tboil 808.68 K Joback Calculated Property
Tc 1010.19 K Joback Calculated Property
Tfus 542.93 K Joback Calculated Property
Vc 0.97 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 795.30 J/mol×K 808.68 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 1
=CH- (ring) 3
-CH2- 7
-NH2 1
=C< (ring) 3
>N- 1
-CH3 3

Similar Compounds

Benoxinate hydrochloride. Ophthaine. Benzoic acid, 3-butyloxy-, butyl ester. Benzoic acid, 3-(3-methylbutyl)oxy-, 3-methylbutyl ester. Benzoic acid, 3-propyloxy-, propyl ester. Benzoic acid, 3-(2-methylbutyl)oxy-, 2-methylbutyl ester. Benzoic acid, 3-pentyloxy-, pentyl ester. Benzoic acid, 3-(2-methylpropyl)oxy-, 2-methylpropyl ester. Benzoic acid, 3-butyloxy-, methyl ester. Benzoic acid, 3-ethyloxy-, ethyl ester. Benzoic acid, 3-(2-methylbutyl)oxy-, methyl ester. Benzoic acid, 3-(3-methylbutyl)oxy-, methyl ester. Benzoic acid, 3-pentyloxy-, methyl ester. Benzoic acid, 4-amino-2-propoxy-, 2-(diethylamino)ethyl ester. Methyl 3-methoxy-4-nitrobenzoate.

Find more compounds similar to Benoxinate.

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.