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CS-W001157 4
Total: USD 88.00

Simeton

  • CAS No. 673-04-1

  • Cat. No. CS-0133195
  • Molecule weight197.24
  • Purity≥98%
  • MDL No.MFCD01311011

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

Simeton|CS-0133195

Structure of 673-04-1

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General Information

  • CAS No. 673-04-1
  • Cat. No. CS-0133195
  • Purity ≥98%
  • MDL No. MFCD01311011
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₅N₅O
  • Molecular Weight 197.24
  • Synonym(s) None
  • SMILES N=1C(=NC(=NC1NCC)NCC)OC

Synthesis

  • Route1

    References

    • Organic and biomolecular chemistry, , vol. 2, # 18 p. 2563 - 2566
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 71, p. 1128

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   71.96
  • LogP   0.7438
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   5

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