- InChI
- InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
- InChI Key
- ZLIBICFPKPWGIZ-UHFFFAOYSA-N
- Formula
- C12H13N3
- SMILES
- Cc1cc(C)nc(Nc2ccccc2)n1
- Molecular Weight1
- 199.25
- CAS
- 53112-28-0
- Other Names
-
- 2-Pyrimidinamine, 4,6-dimethyl-N-phenyl-
- 2-anilino-4,6-dimethylpyrimidine
- 4,6-Dimethyl-N-phenyl-2-pyrimidinamine
- 4,6-Dimethyl-N-phenyl-pyrimidin-2-amine
- 4,6-dimethyl-N-phenylpyrimidin-2-amine
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -3.76 | Crippen Calculated Property | |
| logPoct/wat | 2.837 | Crippen Calculated Property | |
| McVol | 162.360 | ml/mol | McGowan Calculated Property |
| Inp | [1789.00; 1813.00] |
|
|
| Inp | 1813.00 | NIST | |
| Inp | 1789.00 | NIST | |
| Inp | 1796.00 | NIST | |
| Inp | 1801.00 | NIST | |
| Tfus | 369.29 | K | Measure... |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 21.23 | kJ/mol | 234.50 | NIST |
Similar Compounds
Find more compounds similar to PYRIMETHANIL.
Mixtures
- PYRIMETHANIL + Methyl Alcohol
- Ethanol + PYRIMETHANIL
- 1-Propanol + PYRIMETHANIL
- Isopropyl Alcohol + PYRIMETHANIL
- 1-Butanol + PYRIMETHANIL
- 1-Propanol, 2-methyl- + PYRIMETHANIL
- PYRIMETHANIL + Cyclohexane
- PYRIMETHANIL + Methyl Alcohol + Water
- Ethanol + PYRIMETHANIL + Water
Sources
- Crippen Method
- Crippen Method
- Measurement and Correlation of the Solubility of Pyrimethanil in Seven Monosolvents and Two Different Binary Mixed Solvents
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.