- InChI
- InChI=1S/C20H26N2/c1-20(2)16-10-5-7-12-18(16)22(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
- RYQOGSFEJBUZBX-UHFFFAOYSA-N
- Formula
- C20H26N2
- SMILES
-
CN(C)CCCN1c2ccccc2C(C)(C)c2ccc
cc21 - Molecular Weight1
- 294.43
- CAS
- 4757-55-5
- Other Names
-
- Acridan, 10-(3-(dimethylamino)propyl)-9,9-dimethyl-
- Dimetacrino
- Dimetacrinum
- Dimethacrin
- Dimethacrine
- N,N,9,9-Tetramethyl-10(9H)-acridinepropanamine
- 10(9H)-Acridinepropanamine, N,N,9,9-tetramethyl-
- 10-(3-(Dimethylamino)propyl)-9,9-dimethylacridan
- Acridan, 9,9-dimethyl-10-(3-(dimethylamino)propyl)-
- Dimethacin
- Dimethacine
- 9,9-Dimethyl-10-(3-(dimethylamino)propyl)acridan
- NSC 100297
- 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 | 0.6752 | Relay (1.0) Calculated Property | |
| ΔfG° | 417.47 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 135.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.416 | Crippen Calculated Property | |
| McVol | 254.240 | ml/mol | McGowan Calculated Property |
| Pc | 1705.42 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2313.00; 2343.00] |
|
|
| Inp | 2343.00 | NIST | |
| Inp | 2313.00 | NIST | |
| Tboil | 655.55 | K | Relay (1.0) Calculated Property |
| Tc | 918.92 | K | Relay (1.0) Calculated Property |
| Tfus | 383.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.944 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dimetacrine.
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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