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CS-W001157 4
Total: USD 88.00

Benzylaspartic acid

  • CAS No. 5555-22-6

  • Cat. No. CS-0319832
  • Purity95+%
  • MDL No.MFCD00020501

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

Benzylaspartic acid|CS-0319832

Structure of 5555-22-6

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General Information

  • CAS No. 5555-22-6
  • Cat. No. CS-0319832
  • Purity 95+%
  • MDL No. MFCD00020501
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₄
  • Molecular Weight 223.23
  • Synonym(s) IEM-1770
  • SMILES C1=CC=C(C=C1)CNC(CC(=O)O)C(=O)O

Synthesis

  • Route1
    • null|null
      108-31-6
    • null|null
      100-46-9
    • ~63%
    • Benzylaspartic acid|CS-0319832
      5555-22-6

    References

    • Piispanen, Peter S.; Pihko, Petri M. Tetrahedron Letters, 2005 , vol. 46, # 16 p. 2751 - 2755
  • Route2
    • null|null
      100-46-9
    • ~%
    • Benzylaspartic acid|CS-0319832
      5555-22-6

    References

    • McMillan; Albertson Journal of the American Chemical Society, 1948 , vol. 70, p. 3778,3780
  • Route3
    • diethyl 2-(benzylamino)succinate|CS-0037628
      746551-67-7
    • ~%
    • Benzylaspartic acid|CS-0319832
      5555-22-6

    References

    • McMillan; Albertson Journal of the American Chemical Society, 1948 , vol. 70, p. 3778,3780

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

Quality Control

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Computational Chemistry Data

  • TPSA   86.63
  • LogP   0.7041
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   6

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