- InChI
- InChI=1S/C12H13N3O/c1-9-12(14-8-7-13-9)15-10-5-3-4-6-11(10)16-2/h3-8H,1-2H3,(H,14,15)
- InChI Key
- SLPLQMUSEKFOQV-UHFFFAOYSA-N
- Formula
- C12H13N3O
- SMILES
- COc1ccccc1Nc1nccnc1C
- Molecular Weight1
- 215.25
- CAS
- 88613-97-2
- 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 | 0.5931 | Relay (1.0) Calculated Property | |
| ΔfG° | 270.35 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 97.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.537 | Crippen Calculated Property | |
| McVol | 168.230 | ml/mol | McGowan Calculated Property |
| Pc | 5156.15 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 614.38 | K | Relay (1.0) Calculated Property |
| Tc | 895.32 | K | Relay (1.0) Calculated Property |
| Tfus | 406.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.610 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-(O-methoxyanilino)-3-methyl pyrazine.
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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