(1S,2R,4S,6R)-6-(Ethylamino)-1,2,4-cyclohexanetriol
[CAS# 696617-06-8]

Identification

• Name: (1S,2R,4S,6R)-6-(Ethylamino)-1,2,4-cyclohexanetriol
• Synonyms: (−)-(1S,2R,4S,6R)-6-Ethylaminocyclohexane-1,2,4-triol; (1S,2R,4S,6R)-6-(ethylamino)cyclohexane-1,2,4-triol
• Molecular Formula: C₈H₁₇NO₃
• Molecular Weight: 175.23
• CAS Registry Number: 696617-06-8
• SMILES: CCN[C@@H]1C[C@@H](C[C@H]([C@H]1O)O)O
• InChI: 1S/C8H17NO3/c1-2-9-6-3-5(10)4-7(11)8(6)12/h5-12H,2-4H2,1H3/t5-,6+,7+,8-/m0/s1
• InChIKey: NJDQKJNNRCJSNJ-OSMVPFSASA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 318.7±42.0°C at 760 mmHg (Cal.)
• Flash point: 141.8±18.5°C (Cal.)
• Refractive index: 1.534 (Cal.)

References

• (1): David J. Miller, M. Bashir-Uddin Surfraz, Mahmoud Akhtar, David Gani and Rudolf K. Allemann. Removal of the phosphate group in mechanism-based inhibitors of inositol monophosphatase leads to unusual inhibitory activity, Org. Biomol. Chem., 2004, 2, 671.