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CS-W001157 4
Total: USD 88.00

1-Methylxanthine

  • CAS No. 6136-37-4

  • Cat. No. CS-W008449
  • Purity≥95%
  • MDL No.MFCD00005561

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

1-Methylxanthine|CS-W008449

Structure of 6136-37-4

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General Information

  • CAS No. 6136-37-4
  • Cat. No. CS-W008449
  • Purity ≥95%
  • MDL No. MFCD00005561
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₄O₂
  • Molecular Weight 166.14
  • Synonym(s) None
  • SMILES O=C(N1C)NC2=C(N=CN2)C1=O

Synthesis

  • Route1

    References

    • Synthesis, , # 1 p. 125 - 128
  • Route2
    • null|null
      85357-27-3
    • null|null
      77287-34-4
    • ~40%
    • In-stock
      1-Methylxanthine|CS-W008449
      6136-37-4

    References

    • Black, T. Howard; Gatto, Craig Synthetic Communications, 1989 , vol. 19, # 5and6 p. 843 - 850
  • Route3
    • null|null
      61033-04-3
    • ~%
    • In-stock
      1-Methylxanthine|CS-W008449
      6136-37-4

    References

    • Synthesis, , # 1 p. 125 - 128

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   83.54
  • LogP   -1.0501
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   0

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