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CS-W001157 4
Total: USD 88.00

4-(Benzylamino)benzoic acid

  • CAS No. 61439-54-1

  • Cat. No. CS-0360147
  • Molecule weight227.26
  • Purity≥98%
  • MDL No.None

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

4-(Benzylamino)benzoic acid|CS-0360147

Structure of 61439-54-1

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General Information

  • CAS No. 61439-54-1
  • Cat. No. CS-0360147
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₃NO₂
  • Molecular Weight 227.26
  • Synonym(s) p-benzylaminobenzoic acid
  • SMILES O=C(O)C1=CC=C(NCC2=CC=CC=C2)C=C1

Synthesis

  • Route1
    • null|null
      100-52-7
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~95%
    • 4-(Benzylamino)benzoic acid|CS-0360147
      61439-54-1

    References

    • Kumar, Vishal; Sharma, Sushila; Sharma, Upendra; Singh, Bikram; Kumar, Neeraj Green Chemistry, 2012 , vol. 14, # 12 p. 3410 - 3414
  • Route2
    • null|null
      3939-41-1
    • ~83%
    • 4-(Benzylamino)benzoic acid|CS-0360147
      61439-54-1

    References

    • Matyugina; Alexandrova; Jasco; Ivanov; Vasiliev; Lapteva; Khandazhinskaya; Kukhanova Russian Journal of Bioorganic Chemistry, 2009 , vol. 35, # 3 p. 342 - 348
  • Route3

    References

    • Hu, Lei; Cao, Xueqin; Ge, Danhua; Hong, Haiyan; Guo, Zhiqiang; Chen, Liang; Sun, Xuhui; Tang, Jianxin; Zheng, Junwei; Lu, Jianmei; Gu, Hongwei Chemistry - A European Journal, 2011 , vol. 17, # 50 p. 14283 - 14287

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   49.33
  • LogP   2.9969
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   4

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