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CS-W001157 4
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1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile

  • CAS No. 166398-34-1

  • Cat. No. CS-0447795
  • Purity≥98%
  • MDL No.None

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

1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile|CS-0447795

Structure of 166398-34-1

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General Information

  • CAS No. 166398-34-1
  • Cat. No. CS-0447795
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂
  • Molecular Weight 158.20
  • Synonym(s) 1,2,3,4-Tetrahydro-6-isoquinolinecarbonitrile
  • SMILES C1=CC2=C(CCNC2)C=C1C#N

Synthesis

  • Route1

    References

    • Demont, Emmanuel H.; Arpino, Sandra; Bit, Rino A.; Campbell, Colin A.; Deeks, Nigel; Desai, Sapna; Dowell, Simon J.; Gaskin, Pam; Gray, James R. J.; Harrison, Lee A.; Haynes, Andrea; Heightman, Tom D.; Holmes, Duncan S.; Humphreys, Philip G.; Kumar, Umesh; Morse, Mary A.; Osborne, Greg J.; Panchal, Terry; Philpott, Karen L.; Taylor, Simon; Watson, Robert; Willis, Robert; Witherington, Jason Journal of Medicinal Chemistry, 2011 , vol. 54, # 19 p. 6724 - 6733

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   1.20398
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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