- InChI
- InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
- InChI Key
- QWGDMFLQWFTERH-UHFFFAOYSA-N
- Formula
- C17H16ClN3O
- SMILES
-
Clc1ccc2c(c1)C(N1CCNCC1)=Nc1cc
ccc1O2 - Molecular Weight1
- 313.78
- CAS
- 14028-44-5
- Other Names
-
- Dibenz[b,f][1,4]oxazepine, 2-chloro-11-(1-piperazinyl)-
- Ascendin
- Asendin
- 2-Chloro-11-(1-piperazinyl)dibenz(b,f)(1,4)oxazepine
- CL 67772
- Demolox
- Asendis
- Moxadil
- Amoxan
- Amoxepine
- CL-67.772
- 2-Chloro-11-(1-piperazinyl)dibenzo[b,f][1,4]oxazepine
- 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 | 0.6820 | Relay (1.0) Calculated Property | |
| ΔfG° | 326.87 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 181.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.429 | Crippen Calculated Property | |
| McVol | 224.900 | ml/mol | McGowan Calculated Property |
| Pc | 2676.34 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2600.00; 2646.00] |
|
|
| Inp | 2646.00 | NIST | |
| Inp | 2637.00 | NIST | |
| Inp | 2600.00 | NIST | |
| Inp | 2600.00 | NIST | |
| Inp | 2646.00 | NIST | |
| Inp | 2637.00 | NIST | |
| Tboil | 707.66 | K | Relay (1.0) Calculated Property |
| Tc | 1024.80 | K | Relay (1.0) Calculated Property |
| Tfus | 413.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.791 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Amoxapine.
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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