- InChI
- InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2
- InChI Key
- OZYUPQUCAUTOBP-UHFFFAOYSA-N
- Formula
- C19H25NO
- SMILES
-
C=CCN1CCC23CCCCC2C1Cc1ccc(O)cc
13 - Molecular Weight1
- 283.41
- CAS
- 152-02-3
- Other Names
-
- Morphinan-3-ol, 17-(2-propenyl)-
- Morphinan-3-ol, 17-allyl-
- L-N-allyl-3-hydroxymorphinan
- N-Allyl-3-hydroxymorphinan
- 17-Allylmorphinan-3-ol
- (-)-3-Hydroxy-N-allylmorphinan
- levo-3-Hydroxy-N-allyl morphinan
- Morphinan, 17-allyl-3-hydroxy-
- Naloxiphan
- RO-1-7700
- 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.
- I : 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 | 0.6099 | Relay (1.0) Calculated Property | |
| ΔfG° | 231.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -44.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.637 | Crippen Calculated Property | |
| McVol | 233.780 | ml/mol | McGowan Calculated Property |
| Pc | 1936.18 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2306.00; 2370.00] |
|
|
| Inp | 2327.00 | NIST | |
| Inp | 2348.00 | NIST | |
| Inp | 2340.00 | NIST | |
| Inp | 2330.00 | NIST | |
| Inp | 2330.00 | NIST | |
| Inp | 2306.00 | NIST | |
| Inp | 2360.00 | NIST | |
| Inp | 2360.00 | NIST | |
| Inp | 2306.00 | NIST | |
| Inp | 2359.00 | NIST | |
| Inp | 2370.00 | NIST | |
| Inp | 2360.00 | NIST | |
| Inp | 2327.00 | NIST | |
| Inp | 2340.00 | NIST | |
| I | 3665.00 | NIST | |
| Tboil | 685.87 | K | Relay (1.0) Calculated Property |
| Tc | 937.27 | K | Relay (1.0) Calculated Property |
| Tfus | 420.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.802 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Levallorphan.
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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