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CS-W001157 4
Total: USD 88.00

2-[(ethoxycarbonyl)amino]-3-methylbutanoic acid

  • CAS No. 111421-95-5

  • Cat. No. CS-0247375
  • Purity≥97%
  • MDL No.None

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

2-[(ethoxycarbonyl)amino]-3-methylbutanoic acid|CS-0247375

Structure of 111421-95-5

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General Information

  • CAS No. 111421-95-5
  • Cat. No. CS-0247375
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₅NO₄
  • Molecular Weight 189.21
  • Synonym(s) N-(Ethoxycarbonyl)-DL-valine
  • SMILES CC(C)C(NC(OCC)=O)C(O)=O

Synthesis

  • Route1
    • null|null
      541-41-3
    • DL-Valine, ≥97%|CS-1268952
      516-06-3
    • ~%
    • 2-[(ethoxycarbonyl)amino]-3-methylbutanoic acid|CS-0247375
      111421-95-5

    References

    • Davis Annales de Chimie (Cachan, France), 1954 , vol. <12> 9, p. 399,426 Full Text Show Details Ben-Ishai; Katchalski Journal of the American Chemical Society, 1952 , vol. 74, p. 3688 Full Text View citing articles Show Details Vernsten; Moore Journal of the American Chemical Society, 1953 , vol. 75, p. 1320

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

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Computational Chemistry Data

  • TPSA   75.63
  • LogP   0.8417
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   4

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