- InChI
- InChI=1S/C13H10N2/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13/h1-8H,14H2
- InChI Key
- LOMMDWBTANPFEJ-UHFFFAOYSA-N
- Formula
- C13H10N2
- SMILES
- Nc1cccc2nc3ccccc3cc12
- Molecular Weight1
- 194.24
- 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).
- 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 | 0.5830 | Relay (... Calculated Property | |
| ΔfG° | 342.71 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 232.43 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 97.22 | kJ/mol | Relay (... Calculated Property |
| IE | 7.36 | eV | Relay (... Calculated Property |
| log10WS | [-4.22; -4.22] |
|
|
| log10WS | -4.22 | Aq. Sol... | |
| log10WS | -4.22 | Estimat... | |
| logPoct/wat | 2.970 | Crippen Calculated Property | |
| McVol | 151.310 | ml/mol | McGowan Calculated Property |
| Pc | 3892.29 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 660.51 | K | Relay (... Calculated Property |
| Tc | 977.04 | K | Relay (... Calculated Property |
| Tfus | 445.74 | K | Relay (... Calculated Property |
| Vc | 0.564 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-aminoacridine.
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
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
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