- InChI
- InChI=1S/C22H26N2O3/c1-16(25)23(3)13-6-14-24-21-8-5-4-7-18(21)9-10-19-15-20(27-17(2)26)11-12-22(19)24/h4-5,7-8,11-12,15H,6,9-10,13-14H2,1-3H3
- InChI Key
- JJZGYDOWGFFLQG-UHFFFAOYSA-N
- Formula
- C22H26N2O3
- SMILES
-
CC(=O)Oc1ccc2c(c1)CCc1ccccc1N2
CCCN(C)C(C)=O - Molecular Weight1
- 366.45
- 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 | 0.9251 | Relay (1.0) Calculated Property | |
| ΔfG° | 81.24 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -410.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 128.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.717 | Crippen Calculated Property | |
| McVol | 291.430 | ml/mol | McGowan Calculated Property |
| Pc | 1583.31 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3066.00; 3066.00] |
|
|
| Inp | 3066.00 | NIST | |
| Inp | 3066.00 | NIST | |
| Inp | 3066.00 | NIST | |
| Inp | 3066.00 | NIST | |
| Tboil | 732.34 | K | Relay (1.0) Calculated Property |
| Tc | 1007.76 | K | Relay (1.0) Calculated Property |
| Tfus | 398.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.056 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Desipramine M(HO), acetylated.
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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