Chemical Properties of Etaconazole (CAS 60207-93-4)

Etaconazole

InChI
InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3
InChI Key
DWRKFAJEBUWTQM-UHFFFAOYSA-N
Formula
C14H15Cl2N3O2
SMILES
CCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1
Molecular Weight1
328.19
CAS
60207-93-4
Other Names
  • 1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-
  • ETACONAZOLE-«alpha» (ESO)
  • ETACONAZOLE-«beta» (ESO)
  • 1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole
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Physical Properties

Property Value Unit Source
ω 0.6017 Relay (1.0) Calculated Property
ΔfG° 178.34 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -99.99 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 111.71 kJ/mol Relay (1.0) Calculated Property
IE 8.93 eV Relay (1.0) Calculated Property
log10WS -3.46 Relay (1.0) Calculated Property
logPoct/wat 3.263 Crippen Calculated Property
McVol 220.200 ml/mol McGowan Calculated Property
Pc 2232.28 kPa Relay (1.0-beta) Calculated Property
Tboil 647.76 K Relay (1.0) Calculated Property
Tc 931.31 K Relay (1.0) Calculated Property
Tfus 329.94 K Relay (1.0) Calculated Property
Vc 0.830 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Propiconazole. propiconazole-1. 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole. Difenoconazole. difenoconazole-2. difenoconazole-1. 5-Hydroxytryptophan, ethoxycarbonylated, TBDMS # 2. Hydromorphone, trimethylsilyl ether. Rescinnamine. Paclitaxel. Buprenorphine. Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. acetylepibaptifoline. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate].

Find more compounds similar to Etaconazole.

Sources

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