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CS-W001157 4
Total: USD 88.00

4-Propylaniline

  • CAS No. 2696-84-6

  • Cat. No. CS-W013343
  • Purity≥98%
  • MDL No.MFCD00007924

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

4-Propylaniline|CS-W013343

Structure of 2696-84-6

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General Information

  • CAS No. 2696-84-6
  • Cat. No. CS-W013343
  • Purity ≥98%
  • MDL No. MFCD00007924
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃N
  • Molecular Weight 135.21
  • Synonym(s) p-n-Propylaniline
  • SMILES NC1=CC=C(CCC)C=C1

Description

4-Propylaniline features a para-propyl substituent on an aniline scaffold, delivering enhanced lipophilicity and improved metabolic stability compared to unsubstituted aniline. This electron-donating alkyl group increases resonance donation into the aromatic ring, modulating reactivity in electrophilic substitution. The molecule exhibits bench-stable handling characteristics and integrates readily into synthetic pathways for pharmaceutical intermediates and functional materials.

Synthesis

  • Route1
    • 1-Nitro-4-propylbenzene|CS-0297257
      10342-59-3
    • ~%
    • In-stock
      4-Propylaniline|CS-W013343
      2696-84-6

    References

    • Stock,L.M.; Wasielewski,M.R. Journal of the American Chemical Society, 1977 , vol. 99, p. 50 - 59
  • Route2

    References

    • ALMIRALL, S.A.; DRACONIS PHARMA, S.L.; LABORATORIOS DEL DR. ESTEVE, S.A.; AGUILAR, Nuria; FERNANDEZ, Joan, Carles; TERRICABRAS, Emma; CARCELLER GONZALEZ, Elena; SALAS SOLANA, Jordi Patent: WO2013/149997 A1, 2013 ; Location in patent: Page/Page column 42 ;
  • Route3
    • null|null
      103-65-1
    • ~%
    • In-stock
      4-Propylaniline|CS-W013343
      2696-84-6

    References

    • Zygadlo; Dardas; Nowicka; Hofmann; Galewski Molecular Crystals and Liquid Crystals, 2009 , vol. 509, # 1 p. 283 - 291

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.2213
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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