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| IUPAC Name: | 2-(3,4-dimethoxyphenyl)acetonitrile |
| Description: | (3,4-Dimethoxyphenyl)acetonitrile is an impurity of Verapamil, which is a calcium channel blocker used for the treatment of high blood pressure, angina (chest pain from not enough blood flow to the heart), and supraventricular tachycardia. |
| Molecular Weight: | 177.20 |
| Molecular Formula: | C10H11NO2 |
| Canonical SMILES: | COC1=C(C=C(C=C1)CC#N)OC |
| InChI: | InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3 |
| InChI Key: | ASLSUMISAQDOOB-UHFFFAOYSA-N |
| Boiling Point: | 171-178°C at 10 Torr |
| Melting Point: | 64-65°C |
| Purity: | ≥95% |
| Density: | 1.082±0.06 g/cm3 |
| Solubility: | Soluble in DMSO (Slightly), Ethyl Acetate (Slightly) |
| Appearance: | Light yellow crystalline solid |
| Storage: | Store at 2-8°C |
| MDL: | MFCD00001911 |
| LogP: | 1.76988 |
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