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5-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile

  • CAS No. 27487-83-8

  • Cat. No. CS-0333385
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

5-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile|CS-0333385

Structure of 27487-83-8

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General Information

  • CAS No. 27487-83-8
  • Cat. No. CS-0333385
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₂ClNO₂
  • Molecular Weight 295.80
  • Synonym(s) 5-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile
  • SMILES CC(C)C(CCCCl)(C#N)C1=CC(=C(C=C1)OC)OC

Synthesis

  • Route1

    References

    • European Journal of Medicinal Chemistry, , vol. 25, # 4 p. 351 - 359
  • Route2

    References

    • US5910601 A1, ;
  • Route3

    References

    • European Journal of Medicinal Chemistry, , vol. 25, # 4 p. 351 - 359

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   42.25
  • LogP   4.14018
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   7

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