- InChI
- InChI=1S/C17H16ClN3O2/c18-11-1-3-15-13(9-11)17(21-7-5-19-6-8-21)20-14-10-12(22)2-4-16(14)23-15/h1-4,9-10,19,22H,5-8H2
- InChI Key
- QDWNOKXUZTYVGO-UHFFFAOYSA-N
- Formula
- C17H16ClN3O2
- SMILES
-
Oc1ccc2c(c1)N=C(N1CCNCC1)c1cc(
Cl)ccc1O2 - Molecular Weight1
- 329.78
- CAS
- 61443-78-5
- Other Names
-
- 8-Hydroxyamoxapine
- 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 | 0.8308 | Relay (1.0) Calculated Property | |
| ΔfG° | 178.02 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 5.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 136.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.135 | Crippen Calculated Property | |
| McVol | 230.770 | ml/mol | McGowan Calculated Property |
| Pc | 3115.94 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2907.00; 2907.00] |
|
|
| Inp | 2907.00 | NIST | |
| Inp | 2907.00 | NIST | |
| Tboil | 720.51 | K | Relay (1.0) Calculated Property |
| Tc | 1087.18 | K | Relay (1.0) Calculated Property |
| Tfus | 476.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.803 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 8-Hydroxynorloxapine.
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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