(3aR,4R,8R,8aS)-4,8-Dihydroxy-2,2-Dimethylhexahydro-5H-[1,3]Dioxolo[4,5-d]Azepin-5-One
[CAS# 229643-51-0]

Identification

• Name: (3aR,4R,8R,8aS)-4,8-Dihydroxy-2,2-Dimethylhexahydro-5H-[1,3]Dioxolo[4,5-d]Azepin-5-One
• Synonyms: (3aR,4R,8R,8aS)-4,8-dihydroxy-2,2-dimethyltetrahydro-3aH-[1,3]dioxolo[4,5-d]azepin-5(4H)-one
• Molecular Formula: C₉H₁₅NO₅
• Molecular Weight: 217.22
• CAS Registry Number: 229643-51-0
• SMILES: O=C2NC[C@@H](O)[C@@H]1OC(O[C@@H]1[C@H]2O)(C)C
• InChI: 1S/C9H15NO5/c1-9(2)14-6-4(11)3-10-8(13)5(12)7(6)15-9/h4-7,11-12H,3H2,1-2H3,(H,10,13)/t4-,5-,6+,7-/m1/s1
• InChIKey: QGMZBGLNSRMSIW-MVIOUDGNSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 514.732°C at 760 mmHg (Cal.)
• Flash point: 265.1°C (Cal.)
• Refractive index: 1.511 (Cal.)