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CS-W001157 4
Total: USD 88.00

1-(Prop-2-yn-1-yl)cyclohexane-1-carbonitrile

  • CAS No. 850011-76-6

  • Cat. No. CS-0258893
  • Purity≥95%
  • MDL No.None

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

1-(Prop-2-yn-1-yl)cyclohexane-1-carbonitrile|CS-0258893

Structure of 850011-76-6

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General Information

  • CAS No. 850011-76-6
  • Cat. No. CS-0258893
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃N
  • Molecular Weight 147.22
  • Synonym(s) 1-PROP-2-YNYL-CYCLOHEXANECARBONITRILE
  • SMILES N#CC1(CC#C)CCCCC1

Synthesis

  • Route1

    References

    • Fleming, Fraser F.; Zhang, Zhiyu; Liu, Wang; Knochel, Paul Journal of Organic Chemistry, 2005 , vol. 70, # 6 p. 2200 - 2205
  • Route2
    • null|null
      1360557-39-6
    • null|null
      106-96-7
    • ~86%
    • 1-(Prop-2-yn-1-yl)cyclohexane-1-carbonitrile|CS-0258893
      850011-76-6

    References

    • Nath, Dinesh; Fleming, Fraser F. Chemistry - A European Journal, 2013 , vol. 19, # 6 p. 2023 - 2029
  • Route3
    • 1-Bromocyclohexane-1-carbonitrile|CS-0968447
      676132-35-7
    • null|null
      106-96-7
    • ~63%
    • 1-(Prop-2-yn-1-yl)cyclohexane-1-carbonitrile|CS-0258893
      850011-76-6

    References

    • Fleming, Fraser F.; Zhang, Zhiyu; Liu, Wang; Knochel, Paul Journal of Organic Chemistry, 2005 , vol. 70, # 6 p. 2200 - 2205

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

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.48378
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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