![8-Azabicyclo[3.2.1]octane, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-, endo-](/cid/32-834-0/8-Azabicyclo-3-2-1-octane-3-10-11-dihydro-5H-dibenzo-a-d-cyclohepten-5-yl-oxy-8-methyl-endo.png "8-Azabicyclo[3.2.1]octane, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-, endo-")
- InChI
- InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3
- InChI Key
- ZWPODSUQWXAZNC-UHFFFAOYSA-N
- Formula
- C23H27NO
- SMILES
-
CN1C2CCC1CC(OC1c3ccccc3CCc3ccc
cc31)C2 - Molecular Weight1
- 333.47
- CAS
- 604-51-3
- Other Names
-
- Deptropine
- 3-[10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy]tropane
- Dibenzheptropine
- endo-3-[(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane
- 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 | 0.5864 | Relay (1.0) Calculated Property | |
| ΔfG° | 324.82 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 2.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.516 | Crippen Calculated Property | |
| McVol | 270.680 | ml/mol | McGowan Calculated Property |
| Pc | 1539.79 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2615.00; 2650.00] |
|
|
| Inp | 2650.00 | NIST | |
| Inp | 2615.00 | NIST | |
| Inp | 2650.00 | NIST | |
| Tboil | 701.59 | K | Relay (1.0) Calculated Property |
| Tc | 1009.02 | K | Relay (1.0) Calculated Property |
| Tfus | 480.14 | K | Relay (1.0) Calculated Property |
| Vc | 1.011 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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