- InChI
- InChI=1S/C20H23ClN2O/c1-15(24)22(2)12-5-13-23-19-7-4-3-6-16(19)8-9-17-10-11-18(21)14-20(17)23/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
- InChI Key
- MKZYWCOSALTCPB-UHFFFAOYSA-N
- Formula
- C20H23ClN2O
- SMILES
-
CC(=O)N(C)CCCN1c2ccccc2CCc2ccc
(Cl)cc21 - Molecular Weight1
- 342.86
- CAS
- 72103-49-2
- Other Names
-
- Clomipramine M(Nor), 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 | 0.7785 | Relay (1.0) Calculated Property | |
| ΔfG° | 297.53 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -87.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 126.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.445 | Crippen Calculated Property | |
| McVol | 268.050 | ml/mol | McGowan Calculated Property |
| Pc | 1854.48 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2994.00; 2994.00] |
|
|
| Inp | 2994.00 | NIST | |
| Inp | 2994.00 | NIST | |
| Tboil | 716.00 | K | Relay (1.0) Calculated Property |
| Tc | 997.83 | K | Relay (1.0) Calculated Property |
| Tfus | 380.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.965 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-Desmethylclomipramine 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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