- InChI
- InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
- InChI Key
- YLCXGBZIZBEVPZ-UHFFFAOYSA-N
- Formula
- C16H15ClN2
- SMILES
-
CN1CCN=C(c2ccccc2)c2cc(Cl)ccc2
1 - Molecular Weight1
- 270.76
- CAS
- 2898-12-6
- Other Names
-
- 1H-1,4-Benzodiazepine, 2,3-dihydro-7-chloro-1-methyl-5-phenyl-
- 1H-1,4-Benzodiazepine, 7-chloro-2,3-dihydro-1-methyl-5-phenyl-
- 2,3-Dihydro-7-chloro-1-methyl-5-phenyl-1H-1,4-benzodiazepine
- 7-Chloro-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepine
- 7-Chloro-2,3-dihydro-1-methyl-5-phenyl-3H-1,4-benzodiazepine
- 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine
- Ansilan
- Enobrin
- Mezapam
- Narsis
- Nivelton
- Nobrium
- Psiquium
- Resmit
- Rudotel
- Tranquilax
- 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 | 0.5596 | Relay (1.0) Calculated Property | |
| ΔfG° | 355.34 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 257.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Aq. Solubility Prediction | |
| logPoct/wat | 3.627 | Crippen Calculated Property | |
| McVol | 205.820 | ml/mol | McGowan Calculated Property |
| Pc | 2613.78 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2226.00; 2287.00] |
|
|
| Inp | 2272.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Inp | 2272.00 | NIST | |
| Inp | 2275.00 | NIST | |
| Inp | 2243.00 | NIST | |
| Inp | 2285.00 | NIST | |
| Inp | 2235.00 | NIST | |
| Inp | 2226.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Inp | 2270.00 | NIST | |
| Inp | 2240.00 | NIST | |
| Inp | 2226.00 | NIST | |
| Inp | 2285.00 | NIST | |
| Inp | 2235.00 | NIST | |
| Inp | 2226.00 | NIST | |
| Tboil | 667.64 | K | Relay (1.0) Calculated Property |
| Tc | 951.80 | K | Relay (1.0) Calculated Property |
| Tfus | 374.10 ± 0.50 | K | NIST |
| Vc | 0.723 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Medazepam.
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
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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