(1R,4R,5R,6R,8S)-2-Azabicyclo[2.2.2]octane-4,5,6,8-tetrol
[CAS# 676566-59-9]

Identification

• Name: (1R,4R,5R,6R,8S)-2-Azabicyclo[2.2.2]octane-4,5,6,8-tetrol
• Synonyms: (1R,4R,5R,6R,8S)-2-azabicyclo[2.2.2]octane-4,5,6,8-tetraol
• Molecular Formula: C₇H₁₃NO₄
• Molecular Weight: 175.18
• CAS Registry Number: 676566-59-9
• SMILES: C1[C@@H]2[C@H]([C@H]([C@]([C@H]1O)(CN2)O)O)O
• InChI: 1S/C7H13NO4/c9-4-1-3-5(10)6(11)7(4,12)2-8-3/h3-6,8-12H,1-2H2/t3-,4+,5-,6-,7-/m1/s1
• InChIKey: KTXHTBNPCKMUOE-IECVIRLLSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 344.7±42.0°C at 760 mmHg (Cal.)
• Flash point: 181.9±18.5°C (Cal.)
• Refractive index: 1.715 (Cal.)