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CS-W001157 4
Total: USD 88.00

Isopropyl 4-aminobenzoate

  • CAS No. 18144-43-9

  • Cat. No. CS-0449093
  • Purity≥98%
  • MDL No.MFCD00017108

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

Isopropyl 4-aminobenzoate|CS-0449093

Structure of 18144-43-9

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General Information

  • CAS No. 18144-43-9
  • Cat. No. CS-0449093
  • Purity ≥98%
  • MDL No. MFCD00017108
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₂
  • Molecular Weight 179.22
  • Synonym(s) 4-Aminobenzoic Acid Isopropyl Ester
  • SMILES CC(C)OC(=O)C1=CC=C(C=C1)N

Synthesis

  • Route1
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • null|null
      67-63-0
    • ~97%
    • In-stock
      Isopropyl 4-aminobenzoate|CS-0449093
      18144-43-9

    References

    • PFIZER INC.; CAMERON, Kimberly O'Keefe; KRAUSS, Achim Hans-Peter; LEFKER, Bruce Allen; NAIR, Sajiv Krishnan; PRASANNA, Ganesh; RUI, Eugene Yuanjin Patent: WO2010/116270 A1, 2010 ; Location in patent: Page/Page column 28-29 ; WO 2010/116270 A1
  • Route2

    References

    • Morogina; Nasibulin; Klyuev Petroleum Chemistry, 1998 , vol. 38, # 4 p. 251 - 255
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 120, # 30 p. 7651 - 7652

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   1.834
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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