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CS-W001157 4
Total: USD 88.00

2-(6,7,8,9-Tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)-phenol

  • CAS No. 108877-44-7

  • Cat. No. CS-0213116
  • Molecule weight229.28
  • Purity≥95%
  • MDL No.MFCD02701039

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

2-(6,7,8,9-Tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)-phenol|CS-0213116

Structure of 108877-44-7

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General Information

  • CAS No. 108877-44-7
  • Cat. No. CS-0213116
  • Purity ≥95%
  • MDL No. MFCD02701039
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅N₃O
  • Molecular Weight 229.28
  • Synonym(s) 2-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenol
  • SMILES C1CCC2=NN=C(C3=CC=CC=C3O)N2CC1

Synthesis

  • Route1

    References

    • Chemische Berichte, , vol. 90, p. 909,818

Safety Information

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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-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   50.94
  • LogP   2.3771
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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