- InChI
- InChI=1S/C18H13ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2
- InChI Key
- MFZOSKPPVCIFMT-UHFFFAOYSA-N
- Formula
- C18H13ClN2O
- SMILES
-
C#CCN1C(=O)CN=C(c2ccccc2)c2cc(
Cl)ccc21 - Molecular Weight1
- 308.76
- CAS
- 52463-83-9
- Other Names
-
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-1-(2-propynyl)-
- Zami 905
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-propynyl)-
- 7-Chloro-1,3-dihydro-5-phenyl-1-(2-propynyl)-2H-1,4-benzodiazepin-2-one
- 7-Chloro-1-propargyl-5-phenyl-2H-1,4-benzodiazepin-2-one
- Domar
- Z-905
- Duna
- 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 | 0.5940 | Relay (1.0) Calculated Property | |
| ΔfG° | 422.65 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 331.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.157 | Crippen Calculated Property | |
| McVol | 226.970 | ml/mol | McGowan Calculated Property |
| Pc | 2294.13 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2529.00; 2580.00] |
|
|
| Inp | 2529.00 | NIST | |
| Inp | 2551.00 | NIST | |
| Inp | 2529.00 | NIST | |
| Inp | 2531.00 | NIST | |
| Inp | 2580.00 | NIST | |
| Inp | 2572.00 | NIST | |
| Inp | 2551.00 | NIST | |
| Inp | 2529.00 | NIST | |
| Inp | 2551.00 | NIST | |
| Inp | 2529.00 | NIST | |
| Inp | 2580.00 | NIST | |
| Inp | 2572.00 | NIST | |
| Tboil | 719.17 | K | Relay (1.0) Calculated Property |
| Tc | 1011.96 | K | Relay (1.0) Calculated Property |
| Tfus | 422.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.765 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pinazepam.
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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