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CS-W001157 4
Total: USD 88.00

4-[(diethylamino)methyl]benzoic acid

  • CAS No. 62642-59-5

  • Cat. No. CS-0247600
  • Molecule weight207.27
  • Purity≥97%
  • MDL No.None

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

4-[(diethylamino)methyl]benzoic acid|CS-0247600

Structure of 62642-59-5

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General Information

  • CAS No. 62642-59-5
  • Cat. No. CS-0247600
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇NO₂
  • Molecular Weight 207.27
  • Synonym(s) 4-Diethylaminomethyl-benzoic acid
  • SMILES CCN(CC)CC1=CC=C(C=C1)C(=O)O

Synthesis

  • Route1

    References

    • CNRS Patent: US6972343 B1, 2005 ; Location in patent: Page/Page column 12-13 ;
  • Route2
    • 4-[(Diethylamino)methyl]benzonitrile|CS-0186929
      69293-74-9
    • ~%
    • 4-[(diethylamino)methyl]benzoic acid|CS-0247600
      62642-59-5

    References

    • US2406627 , ;
  • Route3

    References

    • US2406627 , ;

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.54
  • LogP   2.2266
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   5

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