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CS-W001157 4
Total: USD 88.00

4-((1s,4r)-4-Heptylcyclohexyl)benzonitrile

  • CAS No. 61204-03-3

  • Cat. No. CS-0061492
  • Purity≥98%
  • MDL No.None

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

4-((1s,4r)-4-Heptylcyclohexyl)benzonitrile|CS-0061492

Structure of 61204-03-3

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General Information

  • CAS No. 61204-03-3
  • Cat. No. CS-0061492
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₂₉N
  • Molecular Weight 283.45
  • Synonym(s) trans-4-(4-Heptylcyclohexyl)benzonitrile
  • SMILES CCCCCCC[C@H]1CC[C@@H](CC1)C2=CC=C(C=C2)C#N

Synthesis

  • Route1
    • null|null
      73163-48-1
    • ~62%
    • In-stock
      4-((1s,4r)-4-Heptylcyclohexyl)benzonitrile|CS-0061492
      61204-03-3

    References

    • Bezborodov, V. S.; Bubel', O. N.; Konovalov, V. A.; Ptashnikov, Yu. L. Journal of Organic Chemistry USSR (English Translation), 1983 , vol. 19, p. 1479 - 1483 Zhurnal Organicheskoi Khimii, 1983 , vol. 19, # 8 p. 1669 - 1674
  • Route2

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 19, p. 1479 - 1483 Zhurnal Organicheskoi Khimii, , vol. 19, # 8 p. 1669 - 1674
  • Route3
    • null|null
      88069-98-1
    • ~%
    • In-stock
      4-((1s,4r)-4-Heptylcyclohexyl)benzonitrile|CS-0061492
      61204-03-3

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 19, p. 1479 - 1483 Zhurnal Organicheskoi Khimii, , vol. 19, # 8 p. 1669 - 1674

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   6.19258
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   7

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