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| IUPAC Name: | N-propan-2-ylaniline |
| Description: | N-Isopropylaniline (CAS# 768-52-5) is a microbial metabolite of Propachlor (P757300), an acylanilide herbicide that is used to maintain crop protection from weeds. Propachlor is also known to induce Glutathione (G597951)-dependent cytotoxicity and sister chromatid exchanges in human cells. |
| Molecular Weight: | 135.21 |
| Molecular Formula: | C9H13N |
| Canonical SMILES: | CC(C)NC1=CC=CC=C1 |
| InChI: | InChI=1S/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3 |
| InChI Key: | FRCFWPVMFJMNDP-UHFFFAOYSA-N |
| Boiling Point: | 202 ℃ |
| Melting Point: | -32 ℃ |
| Flash Point: | 190 °F |
| Purity: | 97 % |
| Density: | 0.934 g/cm3 |
| Appearance: | Clear brown liquid. |
| Storage: | Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage. |
| Decomposition: | When heated to decomposition it emits toxic fumes of nitroxides |
| MDL: | MFCD00026347 |
| LogP: | 2.57990 |
| Vapor Pressure: | 0.03 mmHg at 77 °F |
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