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CS-W001157 4
Total: USD 88.00

4-(Heptyloxy)aniline

  • CAS No. 39905-44-7

  • Cat. No. CS-0317891
  • Molecule weight207.31
  • Purity≥98%
  • MDL No.MFCD00038135

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

4-(Heptyloxy)aniline|CS-0317891

Structure of 39905-44-7

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General Information

  • CAS No. 39905-44-7
  • Cat. No. CS-0317891
  • Purity ≥98%
  • MDL No. MFCD00038135
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₁NO
  • Molecular Weight 207.31
  • Synonym(s) p-Heptyloxyaniline
  • SMILES CCCCCCCOC1=CC=C(C=C1)N

Synthesis

  • Route1

    References

    • PRAECIS PHARMACEUTICALS, INC. Patent: WO2006/20951 A1, 2006 ; Location in patent: Page/Page column 53-54 ; WO 2006/020951 A1
  • Route2
    • N-(4-(heptyloxy)phenyl)acetamide|CS-0555963
      55792-60-4
    • ~82%
    • 4-(Heptyloxy)aniline|CS-0317891
      39905-44-7

    References

    • Balamurugan; Kannan; Yadupati; Roy Journal of Molecular Structure, 2011 , vol. 1001, # 1-3 p. 118 - 124
  • Route3
    • 1-(Heptyloxy)-4-nitrobenzene|CS-0445430
      13565-36-1
    • ~76%
    • 4-(Heptyloxy)aniline|CS-0317891
      39905-44-7

    References

    • Park, Joo-Hoon; Choi, Ok-Byung; Lee, Hwan Myung; Lee, Jin-Young; Kim, Sung-Jo; Cha, Eun-Hee; Kim, Dong-Hyun; Ramaraj; So, Bong-Keun; Kim, Kyung-Hwan; Lee, Soo-Min; Yoon, Kuk Ro Bulletin of the Korean Chemical Society, 2012 , vol. 33, # 5 p. 1647 - 1652

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS09
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H411
Precautionary Statements : P273-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.25
  • LogP   3.618
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   7

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