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CAS 1020719-31-6

:

α-(1-Hydroxycyclohexyl-3,3,4,4,5,5-d6)-4-methoxybenzeneacetonitrile

Description:
α-(1-Hydroxycyclohexyl-3,3,4,4,5,5-d6)-4-methoxybenzeneacetonitrile, with the CAS number 1020719-31-6, is a chemical compound characterized by its unique structural features. It contains a cyclohexyl group that is deuterated at specific positions, which can influence its physical and chemical properties, such as stability and reactivity. The presence of a methoxy group and a nitrile functional group contributes to its polarity and potential for hydrogen bonding. This compound is likely to exhibit moderate solubility in organic solvents due to its hydrophobic cyclohexyl and aromatic components, while the nitrile group may enhance its solubility in polar solvents. Additionally, the deuteration may affect its spectroscopic properties, making it useful in studies involving nuclear magnetic resonance (NMR) spectroscopy. Overall, this compound may have applications in medicinal chemistry or as a reference standard in analytical chemistry, although specific applications would depend on further research into its biological activity and reactivity.
Formula:C15H13D6NO2
InChI:InChI=1S/C15H19NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-10H2,1H3/i2D2,3D2,4D2
InChI key:InChIKey=ASYJSBPNAIDUHX-PWDWWLAZSA-N
SMILES:C(C#N)(C1(O)CC(C(C(C1)([2H])[2H])([2H])[2H])([2H])[2H])C2=CC=C(OC)C=C2
Synonyms:
  • Benzeneacetonitrile, α-(1-hydroxycyclohexyl-3,3,4,4,5,5-d6)-4-methoxy-
  • α-(1-Hydroxycyclohexyl-3,3,4,4,5,5-d6)-4-methoxybenzeneacetonitrile
  • α-(1-Hydroxycyclohexyl-3,3,4,4,5,5-d6)-4-Methoxy-benzeneacetonitrile
  • 6
  • 1-(2-CYANO-1-(4-METHOXYPHENYL)ETHYL)CYCLOHEXANOL-D6
  • alpha-(1-Hydroxycyclohexyl-3,3,4,4,5,5-d
  • )-4-methoxybenzeneacetonitrile
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