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| IUPAC Name: | 2-ethylhexyl 2-cyanoacetate |
| Description: | 2-Ethylhexyl Cyanoacetate (CAS# 13361-34-7) is an intermediate in the synthesis of Octocrylene-13C3 (O239757), which is the labelled form of Octocrylene (O239755). Octocrylene is a UV-A and UV-B filter used in sunscreen and topical drug formulations. |
| Molecular Weight: | 197.27 |
| Molecular Formula: | C11H19NO2 |
| Canonical SMILES: | CCCCC(CC)COC(=O)CC#N |
| InChI: | InChI=1S/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3 |
| InChI Key: | ZNYBQVBNSXLZNI-UHFFFAOYSA-N |
| Boiling Point: | 241.4 °C at 760 mmHg |
| Density: | 0.945 g/cm3 |
| Appearance: | Liquid |
| LogP: | 2.65968 |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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