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CS-W001157 4
Total: USD 88.00

5-Amino-2-(4-methylpiperidin-1-yl)benzoic acid

  • CAS No. 78243-68-2

  • Cat. No. CS-0319427
  • Molecule weight234.29
  • Purity95+%
  • MDL No.None

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

5-Amino-2-(4-methylpiperidin-1-yl)benzoic acid|CS-0319427

Structure of 78243-68-2

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General Information

  • CAS No. 78243-68-2
  • Cat. No. CS-0319427
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈N₂O₂
  • Molecular Weight 234.29
  • Synonym(s) 5-Amino-2-(4-methyl-piperidin-1-yl)-benzoic acid
  • SMILES CC1CCN(CC1)C2=C(C=C(C=C2)N)C(=O)O

Synthesis

  • Route1
    • 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid|CS-0701622
      78243-27-3
    • ~%
    • 5-Amino-2-(4-methylpiperidin-1-yl)benzoic acid|CS-0319427
      78243-68-2

    References

    • Grell, Wolfgang; Hurnaus, Rudolf Journal of Medicinal Chemistry, 1998 , vol. 41, # 26 p. 5219 - 5246
  • Route2
    • null|null
      626-58-4
    • ~%
    • 5-Amino-2-(4-methylpiperidin-1-yl)benzoic acid|CS-0319427
      78243-68-2

    References

    • Grell, Wolfgang; Hurnaus, Rudolf Journal of Medicinal Chemistry, 1998 , vol. 41, # 26 p. 5219 - 5246
  • Route3

    References

    • Grell, Wolfgang; Hurnaus, Rudolf Journal of Medicinal Chemistry, 1998 , vol. 41, # 26 p. 5219 - 5246

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

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Computational Chemistry Data

  • TPSA   66.56
  • LogP   2.2033
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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