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CS-W001157 4
Total: USD 88.00

2-Cyclopropylacetonitrile

  • CAS No. 6542-60-5

  • Cat. No. CS-0051913
  • Purity≥97%
  • MDL No.MFCD00041523

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

2-Cyclopropylacetonitrile|CS-0051913

Structure of 6542-60-5

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General Information

  • CAS No. 6542-60-5
  • Cat. No. CS-0051913
  • Purity ≥97%
  • MDL No. MFCD00041523
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇N
  • Molecular Weight 81.12
  • Synonym(s) Cyclopropylacetonitrile
  • SMILES N#CCC1CC1

Description

2-Cyclopropylacetonitrile features a cyclopropyl ring directly attached to a nitrile-bearing aliphatic chain, delivering enhanced metabolic stability and rigidity compared to linear analogs. This structural motif enables efficient incorporation into bioactive molecules where conformational restraint improves target affinity. The compound exhibits favorable solubility in common organic solvents and maintains stability under standard bench conditions.

Synthesis

  • Route1
    • null|null
      530133-49-4
    • ~78%
    • In-stock
      2-Cyclopropylacetonitrile|CS-0051913
      6542-60-5

    References

    • Kuraray Co., Ltd. Patent: EP1445248 A1, 2004 ; Location in patent: Page 7-8 ;
  • Route2
    • null|null
      143-33-9
    • In-stock
      Cyclopropylmethyl bromide|CS-W020194
      7051-34-5
    • ~77%
    • In-stock
      2-Cyclopropylacetonitrile|CS-0051913
      6542-60-5

    References

    • Pardo, Claude; Charpentier-Morize, Micheline Journal of the Chemical Society, Chemical Communications, 1982 , # 18 p. 1037 - 1039
  • Route3
    • null|null
      143-33-9
    • null|null
      5911-08-0
    • ~50%
    • In-stock
      2-Cyclopropylacetonitrile|CS-0051913
      6542-60-5

    References

    • Wurrey; Shen; Zhu; Zhen; Durig Journal of Molecular Structure, 1998 , vol. 449, # 2-3 p. 203 - 217

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Warning
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226
Precautionary Statements : P210-P233-P240-P241-P242-P243

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   1.31008
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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