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CS-W001157 4
Total: USD 88.00

3-(Pyrrolidin-1-yl)benzoic acid

  • CAS No. 72548-79-9

  • Cat. No. CS-0155284
  • Molecule weight191.23
  • Purity≥97%
  • MDL No.MFCD03426724

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

3-(Pyrrolidin-1-yl)benzoic acid|CS-0155284

Structure of 72548-79-9

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General Information

  • CAS No. 72548-79-9
  • Cat. No. CS-0155284
  • Purity ≥97%
  • MDL No. MFCD03426724
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₂
  • Molecular Weight 191.23
  • Synonym(s) 3-PYRROLIDIN-1-YL-BENZOIC ACID
  • SMILES C1CCN(C1)C2=CC=CC(=C2)C(=O)O

Synthesis

  • Route1
    • Methyl 3-pyrrolidin-1-ylbenzoate|CS-0179155
      186086-71-5
    • ~82%
    • In-stock
      3-(Pyrrolidin-1-yl)benzoic acid|CS-0155284
      72548-79-9

    References

    • Semple, Graeme; Ryder, Hamish; Rooker, David P.; Batt, Andrzej R.; Kendrick, David A.; Szelke, Michael; Ohta, Mitsuaki; Satoh, Masato; Nishida, Akito; Akuzawa, Shinobu; Miyata, Keiji Journal of Medicinal Chemistry, 1997 , vol. 40, # 3 p. 331 - 341
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 40, # 3 p. 331 - 341
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 40, # 3 p. 331 - 341

Safety Information

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GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227
Precautionary Statements : P210-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.54
  • LogP   1.985
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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