- InChI
- InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
- InChI Key
- XXSMGPRMXLTPCZ-UHFFFAOYSA-N
- Formula
- C18H26ClN3O
- SMILES
-
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)c
cc12 - Molecular Weight1
- 335.87
- CAS
- 118-42-3
- Other Names
-
- Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-
- Ethanol, 2-[[4-[(7-chloro-4-quinolyl)amino]pentyl]ethylamino]-
- Oxychlorochin
- Plaquenil
- Quensyl
- Win 1258-2
- WIN 1258
- 7-Chloro-4-(4-(N-ethyl-N-«beta»-hydroxyethylamino)-1-methylbutylamino)quinoline
- 7-Chloro-4-(4-(ethyl(2-hydroxyethyl)amino)-1-methylbutylamino)quinoline
- 7-Chloro-4-(5-(N-ethyl-N-2-hydroxyethylamino)-2-pentyl)aminoquinoline
- 2-((4-((7-Chloro-4-quinolyl)amino)pentyl)ethylamino)ethanol
- Oxichloroquine
- Oxychloroquine
- (.+/-.)-Hydroxychloroquine
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9416 | Relay (... Calculated Property | |
| ΔfG° | 256.87 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -182.00 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 130.25 | kJ/mol | Relay (... Calculated Property |
| IE | 7.79 | eV | Relay (... Calculated Property |
| log10WS | -3.54 | Relay (... Calculated Property | |
| logPoct/wat | 3.783 | Crippen Calculated Property | |
| McVol | 269.310 | ml/mol | McGowan Calculated Property |
| Pc | 1921.10 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2872.00; 2872.00] |
|
|
| Inp | 2872.00 | NIST | |
| Inp | 2872.00 | NIST | |
| Tboil | 707.56 | K | Relay (... Calculated Property |
| Tc | 966.55 | K | Relay (... Calculated Property |
| Tfus | 356.71 | K | Relay (... Calculated Property |
| Vc | 0.939 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Hydroxychloroquine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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