- InChI
- InChI=1S/C19H21N3O2/c1-13(23)24-16-5-6-17-15(11-16)10-14-4-3-7-20-19(14)22-9-8-21(2)12-18(17)22/h3-7,11,18H,8-10,12H2,1-2H3
- InChI Key
- NVDJCIXJFASWCZ-UHFFFAOYSA-N
- Formula
- C19H21N3O2
- SMILES
-
CC(=O)Oc1ccc2c(c1)Cc1cccnc1N1C
CN(C)CC21 - Molecular Weight1
- 323.39
- 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 | 0.7321 | Relay (1.0) Calculated Property | |
| ΔfG° | 205.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -79.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.404 | Crippen Calculated Property | |
| McVol | 246.710 | ml/mol | McGowan Calculated Property |
| Pc | 1904.64 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2650.00; 2650.00] |
|
|
| Inp | 2650.00 | NIST | |
| Inp | 2650.00 | NIST | |
| Tboil | 719.77 | K | Relay (1.0) Calculated Property |
| Tc | 1010.19 | K | Relay (1.0) Calculated Property |
| Tfus | 423.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.890 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Mirtazapine-M (HO-) AC.
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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