- InChI
- InChI=1S/C17H13ClN4O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)19-9-15-20-21-16(10-23)22(14)15/h1-8,23H,9-10H2
- InChI Key
- ZURUZYHEEMDQBU-UHFFFAOYSA-N
- Formula
- C17H13ClN4O
- SMILES
-
OCc1nnc2n1-c1ccc(Cl)cc1C(c1ccc
cc1)=NC2 - Molecular Weight1
- 324.76
- 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 | 0.8783 | Relay (... Calculated Property | |
| ΔfG° | 382.80 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 317.21 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 140.60 | kJ/mol | Relay (... Calculated Property |
| IE | 7.99 | eV | Relay (... Calculated Property |
| log10WS | -3.07 | Relay (... Calculated Property | |
| logPoct/wat | 2.764 | Crippen Calculated Property | |
| McVol | 226.280 | ml/mol | McGowan Calculated Property |
| Pc | 2975.91 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3010.00 | NIST | |
| Tboil | 738.44 | K | Relay (... Calculated Property |
| Tc | 1121.16 | K | Relay (... Calculated Property |
| Tfus | 510.89 | K | Relay (... Calculated Property |
| Vc | 0.829 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-hydroxy-alprazolam.
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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