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CS-W001157 4
Total: USD 88.00

4-Ethynyl-N-methylaniline

  • CAS No. 119754-15-3

  • Cat. No. CS-0366814
  • Purity95+%
  • MDL No.None

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

4-Ethynyl-N-methylaniline|CS-0366814

Structure of 119754-15-3

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General Information

  • CAS No. 119754-15-3
  • Cat. No. CS-0366814
  • Purity 95+%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N
  • Molecular Weight 131.17
  • Synonym(s) Benzenamine, 4-ethynyl-N-methyl- (9CI)
  • SMILES C#CC1=CC=C(C=C1)NC

Synthesis

  • Route1

    References

    • Qu, Wenchao; Kung, Mei-Ping; Hou, Catherine; Oya, Shunichi; Kung, Hank F. Journal of Medicinal Chemistry, 2007 , vol. 50, # 14 p. 3380 - 3387
  • Route2

    References

    • Watanabe, Hiroyuki; Ono, Masahiro; Haratake, Mamoru; Kobashi, Nobuya; Saji, Hideo; Nakayama, Morio Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 13 p. 4740 - 4746
  • Route3
    • N-methyl-4-((trimethylsilyl)ethynyl)aniline|CS-0457415
      1233957-30-6
    • ~%
    • 4-Ethynyl-N-methylaniline|CS-0366814
      119754-15-3

    References

    • Saito, Yoshio; Miyamoto, Shigenori; Suzuki, Azusa; Matsumoto, Katsuhiko; Ishihara, Tsutomu; Saito, Isao Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 8 p. 2753 - 2756

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   12.03
  • LogP   1.7096
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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