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CS-W001157 4
Total: USD 88.00

5-Chlorogramine

  • CAS No. 830-94-4

  • Cat. No. CS-0006443
  • Molecule weight208.69
  • Purity≥98%
  • MDL No.MFCD01074497

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

5-Chlorogramine|CS-0006443

Structure of 830-94-4

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General Information

  • CAS No. 830-94-4
  • Cat. No. CS-0006443
  • Purity ≥98%
  • MDL No. MFCD01074497
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃ClN₂
  • Molecular Weight 208.69
  • Synonym(s) 1-(5-Chloro-1H-indol-3-yl)-N,N-dimethylmethanamine
  • SMILES CN(C)CC1=CNC2=C1C=C(Cl)C=C2

Synthesis

  • Route1
    • null|null
      50-00-0
    • In-stock
      5-Chloroindole|CS-W007384
      17422-32-1
    • null|null
      124-40-3
    • ~41%
    • 5-Chlorogramine|CS-0006443
      830-94-4

    References

    • Bandini, Marco; Eichholzer, Astrid Angewandte Chemie - International Edition, 2009 , vol. 48, # 50 p. 9533 - 9537
  • Route2

    References

    • Greco, Michael N.; Hawkins, Michael J.; Powell, Eugene T.; Almond Jr., Harold R.; De Garavilla, Lawrence; Hall, Jeffrey; Minor, Lisa K.; Wang, Yuanping; Corcoran, Thomas W.; Di Cera, Enrico; Cantwell, Angelene M.; Savvides, Savvas N.; Damiano, Bruce P.; Maryanoff, Bruce E. Journal of Medicinal Chemistry, 2007 , vol. 50, # 8 p. 1727 - 1730

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   19.03
  • LogP   2.8829
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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