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CS-W001157 4
Total: USD 88.00

3-Acetamidobutanoic acid

  • CAS No. 136781-39-0

  • Cat. No. CS-0276848
  • Purity≥98%
  • MDL No.None

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

3-Acetamidobutanoic acid|CS-0276848

Structure of 136781-39-0

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General Information

  • CAS No. 136781-39-0
  • Cat. No. CS-0276848
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₁NO₃
  • Molecular Weight 145.16
  • Synonym(s) 3-(Acetylamino)butanoic acid
  • SMILES CC(NC(C)=O)CC(O)=O

Synthesis

  • Route1
    • null|null
      497262-04-1
    • ~67%
    • 3-Acetamidobutanoic acid|CS-0276848
      136781-39-0

    References

    • Komarov, Igor V.; Monsees, Axel; Spannenberg, Anke; Baumann, Wolfgang; Schmidt, Ute; Fischer, Christine; Boerner, Armin European Journal of Organic Chemistry, 2003 , # 1 p. 138 - 150
  • Route2
    • Amlodipine Impurity 53|CS-0914853
      72569-97-2
    • ~%
    • 3-Acetamidobutanoic acid|CS-0276848
      136781-39-0

    References

    • Lubell; Kitamura; Noyori Tetrahedron Asymmetry, 1991 , vol. 2, # 7 p. 543 - 554
  • Route3
    • null|null
      67654-56-2
    • ~%
    • 3-Acetamidobutanoic acid|CS-0276848
      136781-39-0

    References

    • Lubell; Kitamura; Noyori Tetrahedron Asymmetry, 1991 , vol. 2, # 7 p. 543 - 554

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

Quality Control

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   -0.0143
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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