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CS-W001157 4
Total: USD 88.00

Ranitidine impurity 1

  • CAS No. 72078-82-1

  • Cat. No. CS-0532640
  • Purity≥98%
  • MDL No.MFCD08275604

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

Ranitidine impurity 1|CS-0532640

Structure of 72078-82-1

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General Information

  • CAS No. 72078-82-1
  • Cat. No. CS-0532640
  • Purity ≥98%
  • MDL No. MFCD08275604
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₆N₂O₃
  • Molecular Weight 118.09
  • Synonym(s) N-Methylnitroacetamide
  • SMILES O=C(C[N+]([O-])=O)NC

Description

5-Methyl-2-hepten-4-one predominantly trans is the characteristic aroma compound of hazelnuts.[113}

Synthesis

  • Route1

    References

    • Cecchi, Luca; De Sarlo, Francesco; Machetti, Fabrizio European Journal of Organic Chemistry, 2006 , # 21 p. 4852 - 4860
  • Route2
    • null|null
      102721-76-6
    • ~%
    • Ranitidine impurity 1|CS-0532640
      72078-82-1

    References

    • Manjunatha, Sulur G.; Reddy, K. Venodhar; Rajappa, Srinivasachari Tetrahedron Letters, 1990 , vol. 31, # 9 p. 1327 - 1330
  • Route3
    • 1,3-Dimethyl-5-nitro-2,4(1H,3H)-pyrimidinedione|CS-0308933
      41613-26-7
    • ~0%
    • Ranitidine impurity 1|CS-0532640
      72078-82-1
    • 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide|CS-0484303
      78999-61-8

    References

    • Hirota, Kosaku; Kitade, Yukio; Senda, Shigeo Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984 , # 8 p. 1859 - 1861

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   72.24
  • LogP   -0.9909
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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