Supinine
[CAS# 551-58-6]

Identification

• Name: Supinine
• Synonyms: [(8S)-5,6,7,8-Tetrahydro-3H-Pyrrolizin-1-Yl]Methyl (2S)-2-Hydroxy-2-(1-Hydroxyethyl)-3-Methyl-Butanoate; (2S)-2-Hydroxy-2-(1-Hydroxyethyl)-3-Methylbutanoic Acid [(8S)-5,6,7,8-Tetrahydro-3H-Pyrrolizin-1-Yl]Methyl Ester; (2S)-2-Hydroxy-2-(1-Hydroxyethyl)-3-Methyl-Butyric Acid [(8S)-5,6,7,8-Tetrahydro-3H-Pyrrolizin-1-Yl]Methyl Ester
• Molecular Formula: C₁₅H₂₅NO₄
• Molecular Weight: 283.37
• CAS Registry Number: 551-58-6
• SMILES: [C@@](C(OCC1=CCN2[C@H]1CCC2)=O)([C@H](O)C)(C(C)C)O
• InChI: 1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13+,15+/m1/s1
• InChIKey: DRVWTOSBCBKXOR-ZLDLUXBVSA-N

Properties

• Density: 1.188g/cm³ (Cal.)
• Boiling point: 416.785°C at 760 mmHg (Cal.)
• Flash point: 205.864°C (Cal.)