- InChI
- InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
- InChI Key
- YHXISWVBGDMDLQ-UHFFFAOYSA-N
- Formula
- C13H17ClN2O2
- SMILES
- O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
- Molecular Weight1
- 268.74
- CAS
- 71320-77-9
- Other Names
-
- Benzamide, 4-chloro-N-(2-(4-morpholinyl)ethyl)-
- 4-Chloro-N-(2-(4-morpholinyl)ethyl)benzamide
- RO 11-1163
- p-Chloro-N-(2-morpholinoethyl)benzamide
- Aurorix
- Manerix
- Moclaime
- Moclamide
- Ro-11-1163/000
- Auromid
- 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 | 0.6686 | Relay (1.0) Calculated Property | |
| ΔfG° | 74.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -271.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.402 | Crippen Calculated Property | |
| McVol | 199.050 | ml/mol | McGowan Calculated Property |
| Pc | 2182.10 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2210.00; 2210.00] |
|
|
| Inp | 2210.00 | NIST | |
| Inp | 2210.00 | NIST | |
| Tboil | 645.45 | K | Relay (1.0) Calculated Property |
| Tc | 881.95 | K | Relay (1.0) Calculated Property |
| Tfus | 372.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.699 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Moclobemide.
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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