- InChI
- InChI=1S/C18H21ClN2/c1-20-11-4-12-21-17-6-3-2-5-14(17)7-8-15-9-10-16(19)13-18(15)21/h2-3,5-6,9-10,13,20H,4,7-8,11-12H2,1H3
- InChI Key
- VPIXQGUBUKFLRF-UHFFFAOYSA-N
- Formula
- C18H21ClN2
- SMILES
- CNCCCN1c2ccccc2CCc2ccc(Cl)cc21
- Molecular Weight1
- 300.83
- CAS
- 303-48-0
- Other Names
-
- Norclomipramine
- 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).
- 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 | 0.7080 | Relay (1.0) Calculated Property | |
| ΔfG° | 364.66 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 143.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.186 | Crippen Calculated Property | |
| McVol | 238.300 | ml/mol | McGowan Calculated Property |
| Pc | 2031.61 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 699.98 | K | Relay (1.0) Calculated Property |
| Tc | 959.24 | K | Relay (1.0) Calculated Property |
| Tfus | 387.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.842 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Desmethylclomipramine.
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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