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| IUPAC Name: | 2-(2,4,6-trimethylphenyl)acetonitrile |
| Description: | 2,4,6-Trimethylphenylacetonitrile (CAS# 34688-71-6) is an organic building block used in the synthesis of more complex compounds, such as Spiromesifen Metabolite (M225645). It can also be used in the novel synthetic route for the Anti-HIV Drug MC-1220 and its analogues. |
| Molecular Weight: | 159.23 |
| Molecular Formula: | C11H13N |
| Canonical SMILES: | CC1=CC(=C(C(=C1)C)CC#N)C |
| InChI: | InChI=1S/C11H13N/c1-8-6-9(2)11(4-5-12)10(3)7-8/h6-7H,4H2,1-3H3 |
| InChI Key: | SDKQOGSGNPGPRN-UHFFFAOYSA-N |
| Boiling Point: | 120 °C (1 mmHg) |
| Melting Point: | 76-80 °C |
| Purity: | 95 % |
| Density: | 0.968 g/cm3 |
| Solubility: | Insoluble in water |
| Appearance: | White to off-white crystals or crystalline powder |
| MDL: | MFCD00013815 |
| LogP: | 2.67788 |
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