- InChI
- InChI=1S/C17H21NO2/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18/h5-6,11-12,14,19H,2-4,7-9H2,1H3
- InChI Key
- LNNWVNGFPYWNQE-UHFFFAOYSA-N
- Formula
- C17H21NO2
- SMILES
-
CN1CCC23c4c5ccc(O)c4OC2CCCC3C1
C5 - Molecular Weight1
- 271.35
- CAS
- 427-00-9
- Other Names
-
- Morphinan-3-ol, 4,5-epoxy-17-methyl-, (5«alpha»)-
- Morphine, 6-deoxy-7,8-dihydro-
- Deoxydihydromorphine D
- Dihydrodeoxymorphine
- Dihydrodesoxymorphine
- Morphine D, deoxydihydro-
- Permonid
- 4,5-Epoxy-3-hydroxy-N-methylmorphinan
- Morphinan-3-ol, 4,5-«alpha»-epoxy-17-methyl-
- Desomorfin
- Dihydrodesoxymorphine-D
- Dihydroepoxymorphine
- Desmorphine
- 6-Deoxy-7,8-dihydromorphine
- 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 | 0.6535 | Relay (1.0) Calculated Property | |
| ΔfG° | 66.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -188.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.451 | Crippen Calculated Property | |
| McVol | 204.910 | ml/mol | McGowan Calculated Property |
| Pc | 2368.80 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2232.00; 2295.00] |
|
|
| Inp | 2295.00 | NIST | |
| Inp | 2232.00 | NIST | |
| Tboil | 634.08 | K | Relay (1.0) Calculated Property |
| Tc | 966.97 | K | Relay (1.0) Calculated Property |
| Tfus | 406.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.772 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Desomorphine.
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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