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CS-W001157 4
Total: USD 88.00

[1-(4-Nitrobenzyl)-1h-indol-3-yl]methanol

  • CAS No. 678551-69-4

  • Cat. No. CS-0117151
  • Purity≥98%
  • MDL No.None

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

[1-(4-Nitrobenzyl)-1h-indol-3-yl]methanol|CS-0117151

Structure of 678551-69-4

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General Information

  • CAS No. 678551-69-4
  • Cat. No. CS-0117151
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₄N₂O₃
  • Molecular Weight 282.29
  • Synonym(s) VITAS-BB TBB013021
  • SMILES OCC1=CN(CC2=CC=C([N+]([O-])=O)C=C2)C3=C1C=CC=C3

Synthesis

  • Route1
    • 1-(4-Nitrobenzyl)-1h-indole-3-carbaldehyde|CS-0116562
      192997-25-4
    • ~%
    • [1-(4-Nitrobenzyl)-1h-indol-3-yl]methanol|CS-0117151
      678551-69-4

    References

    • Wu, Shuhong; Wang, Li; Guo, Wei; Liu, Xiaoying; Liu, Jinsong; Wei, Xiaoli; Fang, Bingliang Journal of Medicinal Chemistry, 2011 , vol. 54, # 8 p. 2668 - 2679
  • Route2

    References

    • Wu, Shuhong; Wang, Li; Guo, Wei; Liu, Xiaoying; Liu, Jinsong; Wei, Xiaoli; Fang, Bingliang Journal of Medicinal Chemistry, 2011 , vol. 54, # 8 p. 2668 - 2679

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   68.3
  • LogP   3.0901
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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