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2-(2-Imino-4-oxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid

  • CAS No. 85301-38-8

  • Cat. No. CS-0306146
  • Molecule weight169.14
  • Purity95+%
  • MDL No.None

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

2-(2-Imino-4-oxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid|CS-0306146

Structure of 85301-38-8

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General Information

  • CAS No. 85301-38-8
  • Cat. No. CS-0306146
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇N₃O₃
  • Molecular Weight 169.14
  • Synonym(s) 5-Pyrimidineacetic acid, 2-amino-1,4-dihydro-4-oxo- (9CI)
  • SMILES N=C1NC(=O)C(=CN1)CC(O)=O

Synthesis

  • Route1

    References

    • ISIS Pharmaceuticals, Inc.; PepSeptive Biosystems, Inc. Patent: US6441130 B1, 2002 ;
  • Route2
    • Ethyl 2-(2-amino-6-oxo-1,6-dihydropyrimidin-5-yl)acetate|CS-0246683
      85301-39-9
    • ~%
    • 2-(2-Imino-4-oxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid|CS-0306146
      85301-38-8

    References

    • Beran; Cerny; Krepelka; Vachek Collection of Czechoslovak Chemical Communications, 1983 , vol. 48, # 1 p. 292 - 298
  • Route3
    • null|null
      58026-12-3
    • ~%
    • 2-(2-Imino-4-oxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid|CS-0306146
      85301-38-8

    References

    • Beran; Cerny; Krepelka; Vachek Collection of Czechoslovak Chemical Communications, 1983 , vol. 48, # 1 p. 292 - 298

Safety Information

Download SDS
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   109.8
  • LogP   -1.19043
  • H_Acceptors   3
  • H_Donors   4
  • Rotatable_Bonds   2

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