- InChI
- InChI=1S/C20H21NO3/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3
- InChI Key
- ZXFQRFXLFWWKLX-UHFFFAOYSA-N
- Formula
- C20H21NO3
- SMILES
-
COc1ccc2c(=O)c(C)c(-c3ccccc3)o
c2c1CN(C)C - Molecular Weight1
- 323.39
- CAS
- 1165-48-6
- Other Names
-
- 4H-1-Benzopyran-4-one, 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenyl-
- Dimeflin
- Dimelfin
- Flavone, 8-((dimethylamino)methyl)-7-methoxy-3-methyl-
- Malivan
- N-(7-Methoxy-3-methyl-4-oxo-2-phenyl-4H-chromen-8-yl)methyl-N,N-dimethylamine
- Reanimil
- Remeflin
- 8-((Dimethylamino)methyl)-7-methoxy-3-methylflavone
- 8-((Dimethylamino)methyl)-7-methoxy-3-methyl-2-phenylchromone
- 3-Methyl-7-methoxy-8-[(dimethylamino)methyl]flavone
- NSC 169869
- 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 | 0.7563 | Relay (... Calculated Property | |
| ΔfG° | 88.49 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -165.61 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 118.55 | kJ/mol | Relay (... Calculated Property |
| IE | 7.68 | eV | Relay (... Calculated Property |
| log10WS | -3.89 | Relay (... Calculated Property | |
| logPoct/wat | 3.839 | Crippen Calculated Property | |
| McVol | 253.270 | ml/mol | McGowan Calculated Property |
| Pc | 1332.46 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2660.00; 2685.00] |
|
|
| Inp | 2679.00 | NIST | |
| Inp | 2660.00 | NIST | |
| Inp | 2685.00 | NIST | |
| Inp | 2660.00 | NIST | |
| Tboil | 704.46 | K | Relay (... Calculated Property |
| Tc | 980.38 | K | Relay (... Calculated Property |
| Tfus | 449.06 | K | Relay (... Calculated Property |
| Vc | 0.937 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Dimefline.
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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