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CS-W001157 4
Total: USD 88.00

N-Methylsuccinimide

  • CAS No. 1121-07-9

  • Cat. No. CS-0151201
  • Purity≥97%
  • MDL No.MFCD00005517

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

N-Methylsuccinimide|CS-0151201

Structure of 1121-07-9

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General Information

  • CAS No. 1121-07-9
  • Cat. No. CS-0151201
  • Purity ≥97%
  • MDL No. MFCD00005517
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇NO₂
  • Molecular Weight 113.12
  • Synonym(s) None
  • SMILES O=C1N(C(=O)CC1)C

Description

N-Methylsuccinimide is a metabolite of N-methyl-2-pyrrolidone (NMP) and its presence in in plasma and urine can be used as a biomarker of exposure to NMP. Hydrogen bonded complexes between N-methylsuccinimide and phenols (pKa = 10.2 6) are investigated by infrared spectrometry.N-Methylsuccinimide was employed as model compound to investigate the mechanism of enolization step by density-functional theory (DFT) calculations.

Synthesis

  • Route1

    References

    • Ito, Rina; Umezawa, Naoki; Higuchi, Tsunehiko Journal of the American Chemical Society, 2005 , vol. 127, # 3 p. 834 - 835
  • Route2
    • In-stock
      Succinimide|CS-0019112
      123-56-8
    • null|null
      67-56-1
    • ~79%
    • In-stock
      N-Methylsuccinimide|CS-0151201
      1121-07-9

    References

    • BATTELLE MEMORIAL INSTITUTE Patent: WO2004/58708 A1, 2004 ; Location in patent: Page 16 ;
  • Route3

    References

    • WO2004/58708 A1, ; Page 15 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.38
  • LogP   -0.2348
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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