- InChI
- InChI=1S/C20H24N2O/c1-16(23)21(2)14-7-15-22-19-10-5-3-8-17(19)12-13-18-9-4-6-11-20(18)22/h3-6,8-11H,7,12-15H2,1-2H3
- InChI Key
- CNKJDYQMSWTPRH-UHFFFAOYSA-N
- Formula
- C20H24N2O
- SMILES
-
CC(=O)N(C)CCCN1c2ccccc2CCc2ccc
cc21 - Molecular Weight1
- 308.42
- CAS
- 23047-26-9
- Other Names
-
- Desipramine, N-acetyl-
- N-[3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N-methylacetamide
- Desipramine, acetylated
- 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 | 0.7610 | Relay (1.0) Calculated Property | |
| ΔfG° | 330.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -39.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.792 | Crippen Calculated Property | |
| McVol | 255.810 | ml/mol | McGowan Calculated Property |
| Pc | 1981.69 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2669.00; 2776.00] |
|
|
| Inp | 2776.00 | NIST | |
| Inp | 2669.00 | NIST | |
| Inp | 2669.00 | NIST | |
| Tboil | 703.88 | K | Relay (1.0) Calculated Property |
| Tc | 981.02 | K | Relay (1.0) Calculated Property |
| Tfus | 397.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.930 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Desimipramine acetate.
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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