(3aS,7R,8R,8aS)-7,8-Dihydroxy-2,2-Dimethylhexahydro-4H-[1,3]Dioxolo[4,5-c]Azepin-4-One
[CAS# 479412-95-8]

Identification

• Name: (3aS,7R,8R,8aS)-7,8-Dihydroxy-2,2-Dimethylhexahydro-4H-[1,3]Dioxolo[4,5-c]Azepin-4-One
• Synonyms: (3aS,7R,8R,8aS)-7,8-dihydroxy-2,2-dimethyltetrahydro-3aH-[1,3]dioxolo[4,5-c]azepin-4(5H)-one
• Molecular Formula: C₉H₁₅NO₅
• Molecular Weight: 217.22
• CAS Registry Number: 479412-95-8
• SMILES: O=C1NC[C@@H](O)[C@@H](O)[C@@H]2OC(O[C@H]12)(C)C
• InChI: 1S/C9H15NO5/c1-9(2)14-6-5(12)4(11)3-10-8(13)7(6)15-9/h4-7,11-12H,3H2,1-2H3,(H,10,13)/t4-,5-,6+,7+/m1/s1
• InChIKey: DPJLDHKWDXEKSQ-JWXFUTCRSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 467.482°C at 760 mmHg (Cal.)
• Flash point: 236.525°C (Cal.)
• Refractive index: 1.51 (Cal.)