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CS-W001157 4
Total: USD 88.00

3-Methylpyrimidin-4(3H)-one

  • CAS No. 6104-45-6

  • Cat. No. CS-0112077
  • Molecule weight110.11
  • Purity≥98%
  • MDL No.None

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

3-Methylpyrimidin-4(3H)-one|CS-0112077

Structure of 6104-45-6

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General Information

  • CAS No. 6104-45-6
  • Cat. No. CS-0112077
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆N₂O
  • Molecular Weight 110.11
  • Synonym(s) 4(3H)-Pyrimidinone, 3-methyl-
  • SMILES O=C1N(C)C=NC=C1

Synthesis

  • Route1

    References

    • Nakao, Yoshiaki; Idei, Hiroaki; Kanyiva, Kyalo Stephen; Hiyama, Tamejiro Journal of the American Chemical Society, 2009 , vol. 131, # 44 p. 15996 - 15997
  • Route2
    • null|null
      52731-57-4
    • ~77%
    • 3-Methylpyrimidin-4(3H)-one|CS-0112077
      6104-45-6

    References

    • Buurman, Dick J.; Plas, Henk C. van der Journal of Heterocyclic Chemistry, 1987 , vol. 24, p. 1377 - 1380
  • Route3

    References

    • Matsui; Kamiya; Kawamura; Shibata; Muramatsu Bulletin of the Chemical Society of Japan, 1989 , vol. 62, # 9 p. 2939 - 2941

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   -0.2197
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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