| CAS NO | 65376-05-8 |
| Name | (1R,2R)-1,2-CYCLOHEXANEDIMETHANOL
Lurasidone INT 3 (1R,2R)-1,2-Bis(hydroxymethyl)cyclohexane |
| Molecular formula | C8H16O2 |
| Molecular Weight | 144.214 |
| EINECS NO | 692-053-7 |
| IUPAC nominate | [(1R,2R)-2-(hydroxymethyl)cyclohexyl]methanol |
| inchi | InChI=1S/C8H16O2/c9-5-7-3-1-2-4-8(7)6-10/h7-10H,1-6H2/t7-,8-/m0/s1 |
| InChIkey | XDODWINGEHBYRT-YUMQZZPRSA-N |
| Canonical Smiles | C1CC[C@H]([C@@H](C1)CO)CO |
| Physicochemical Attribute | |
| Density: | 1.004 |
| Melting point: | 63.0 to 67.0 ° C |
| Boiling point: | 270.1 ° C at 760 mmHg |
| The refractive index: | 1.47 |
| Sparkle: | 129 ° c. |
| Vapor pressure: | 0.0 + / – 1.2 mmHg at 25 ° C |
| PSA: | 40.46 |
| LogP: | 0.7774 |
| Appearance: | White to Almost White powder to crystal |
| Chemical properties: | White Solid (1 r, 2 r) – 1, 2 – CYCLOHEXANEDIMETHANOLSupplier |
| Acidity coefficient (pka) : | 14.75 + / – 0.10 (Predicted) |
| Storage temperature: | Sealed in a dry, Room Temperature |
(1R, 2R) -1,2-cyclohexanedimethanol is a useful compound in organic synthesis, which can be used to synthesize lurasidone hydrochloride.
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