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CS-W001157 4
Total: USD 88.00

N-Benzyl-3-methylaniline

  • CAS No. 5405-17-4

  • Cat. No. CS-0247015
  • Purity≥95%
  • MDL No.None

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

N-Benzyl-3-methylaniline|CS-0247015

Structure of 5405-17-4

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General Information

  • CAS No. 5405-17-4
  • Cat. No. CS-0247015
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅N
  • Molecular Weight 197.28
  • Synonym(s) n-benzyl-m-toluidine
  • SMILES CC1=CC(=CC=C1)NCC2=CC=CC=C2

Synthesis

  • Route1

    References

    • Zhang, Xue-Lin; Yu, Pan; Wu, Yong-Wei; Wu, Qin-Pei; Zhang, Qing-Shan Journal of Chemical Research, 2014 , vol. 38, # 5 p. 261 - 264
  • Route2
    • null|null
      100-52-7
    • null|null
      108-44-1
    • ~48%
    • N-Benzyl-3-methylaniline|CS-0247015
      5405-17-4

    References

    • GLAXO GROUP LIMITED? Patent: WO2005/99706 A2, 2005 ; Location in patent: Page/Page column 27 ; WO 2005/099706 A2
  • Route3
    • null|null
      1384753-08-5
    • ~62%
    • N-Benzyl-3-methylaniline|CS-0247015
      5405-17-4

    References

    • Barros, M. Teresa; Dey, Suvendu S.; Maycock, Christopher D.; Rodrigues, Paula Tetrahedron, 2012 , vol. 68, # 31 p. 6263 - 6268

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H314-H335
Precautionary Statements : P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   12.03
  • LogP   3.60712
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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