- InChI
- InChI=1S/C20H26N2O/c1-20(2)16-10-5-7-12-18(16)22(23,15-9-14-21(3)4)19-13-8-6-11-17(19)20/h5-8,10-13H,9,14-15H2,1-4H3
- InChI Key
- IBZAKFPEKZMOEJ-UHFFFAOYSA-N
- Formula
- C20H26N2O
- SMILES
-
CN(C)CCC[N+]1([O-])c2ccccc2C(C
)(C)c2ccccc21 - Molecular Weight1
- 310.43
- 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 | 0.6320 | Relay (1.0) Calculated Property | |
| ΔfG° | 386.25 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 91.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.414 | Crippen Calculated Property | |
| McVol | 260.110 | ml/mol | McGowan Calculated Property |
| Pc | 1528.99 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2020.00 | NIST | |
| Tboil | 640.97 | K | Relay (1.0) Calculated Property |
| Tc | 916.63 | K | Relay (1.0) Calculated Property |
| Tfus | 419.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.944 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dimetacrine M(N-oxide).
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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