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| IUPAC Name: | 3-phenylbutanal |
| Description: | 3-Phenylbutyraldehyde (CAS# 16251-77-7) is used as a reactant in the IBX-mediated amine oxidations and dithiane deprotections. |
| Molecular Weight: | 148.20 |
| Molecular Formula: | C10H12O |
| Canonical SMILES: | CC(CC=O)C1=CC=CC=C1 |
| InChI: | InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3 |
| InChI Key: | MYHGOWDLVRDUFA-UHFFFAOYSA-N |
| Boiling Point: | 209.2 °C at 760 mmHg |
| Flash Point: | 96.7°C |
| Density: | 0.997 g/mL at 25 °C (lit.) |
| Solubility: | water, 623.9 mg/L @ 25 °C (est) |
| Appearance: | Colorless liquid |
| MDL: | MFCD00010698 |
| LogP: | 2.37910 |
| Refractive Index: | n20/D 1.5179(lit.) |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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