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| IUPAC Name: | 3-ethynylaniline |
| Description: | A metabolite of Erlotinib. Erlotinib is a tyrosine kinase inhibitor which acts on the epidermal growth factor receptor (EGFR), inhibiting EGFR-associated kinase activity. |
| Molecular Weight: | 117.15 |
| Molecular Formula: | C8H7N |
| Canonical SMILES: | C#CC1=CC(=CC=C1)N |
| InChI: | InChI=1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2 |
| InChI Key: | NNKQLUVBPJEUOR-UHFFFAOYSA-N |
| Boiling Point: | 92-93 ℃ (2 mmHg) |
| Purity: | > 95 % |
| Density: | 1.04 g/cm3 |
| Appearance: | White solid |
| MDL: | MFCD00014779 |
| LogP: | 1.83130 |
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