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CS-W001157 4
Total: USD 88.00

Cyclohexyl 2-cyanoacetate

  • CAS No. 52688-11-6

  • Cat. No. CS-W013236
  • Purity≥98%
  • MDL No.MFCD00014293

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

Cyclohexyl 2-cyanoacetate|CS-W013236

Structure of 52688-11-6

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General Information

  • CAS No. 52688-11-6
  • Cat. No. CS-W013236
  • Purity ≥98%
  • MDL No. MFCD00014293
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃NO₂
  • Molecular Weight 167.21
  • Synonym(s) Cyclohexyl cyanoacetate
  • SMILES O=C(OC1CCCCC1)CC#N

Synthesis

  • Route1
    • null|null
      372-09-8
    • In-stock
      1-Cyclohexanol|CS-0017198
      108-93-0
    • ~98%
    • In-stock
      Cyclohexyl 2-cyanoacetate|CS-W013236
      52688-11-6

    References

    • Arhin, Francis; Belanger, Odette; Ciblat, Stephane; Dehbi, Mohammed; Delorme, Daniel; Dietrich, Evelyne; Dixit, Dilip; Lafontaine, Yanick; Lehoux, Dario; Liu, Jing; McKay, Geoffrey A.; Moeck, Greg; Reddy, Ranga; Rose, Yannick; Srikumar, Ramakrishnan; Tanaka, Kelly S.E.; Williams, Daniel M.; Gros, Philippe; Pelletier, Jerry; Parr Jr., Thomas R.; Far, Adel Rafai Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 17 p. 5812 - 5832

Safety Information

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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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   1.77598
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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