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CS-W001157 4
Total: USD 88.00

2-(Piperidin-1-yl)benzonitrile

  • CAS No. 72752-52-4

  • Cat. No. CS-W016892
  • Molecule weight186.26
  • Purity≥98%
  • MDL No.MFCD00049221

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

2-(Piperidin-1-yl)benzonitrile|CS-W016892

Structure of 72752-52-4

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General Information

  • CAS No. 72752-52-4
  • Cat. No. CS-W016892
  • Purity ≥98%
  • MDL No. MFCD00049221
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄N₂
  • Molecular Weight 186.26
  • Synonym(s) 2-Piperidinobenzonitrile
  • SMILES N#CC1=C(C=CC=C1)N1CCCCC1

Synthesis

  • Route1

    References

    • Grell, Wolfgang; Hurnaus, Rudolf Journal of Medicinal Chemistry, 1998 , vol. 41, # 26 p. 5219 - 5246
  • Route2
    • null|null
      110-89-4
    • null|null
      394-47-8
    • ~87%
    • 2-(Piperidin-1-yl)benzonitrile|CS-W016892
      72752-52-4

    References

    • Sato, Ippei; Morihira, Koichiro; Inami, Hiroshi; Kubota, Hirokazu; Morokata, Tatsuaki; Suzuki, Keiko; Iura, Yosuke; Nitta, Aiko; Imaoka, Takayuki; Takahashi, Toshiya; Takeuchi, Makoto; Ohta, Mitsuaki; Tsukamoto, Shin-ichi Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 18 p. 8607 - 8618
  • Route3

    References

    • Schio, Laurent; Lemoine, Guy; Klich, Michel Synlett, 1999 , # 10 p. 1559 - 1562

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS09
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H411
Precautionary Statements : P273-P391-P501

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Computational Chemistry Data

  • TPSA   27.03
  • LogP   2.54858
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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