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CS-W001157 4
Total: USD 88.00

2,3-Dihydro-1H-indole-4-carbonitrile

  • CAS No. 885278-80-8

  • Cat. No. CS-0019352
  • Purity≥97%
  • MDL No.MFCD09026831

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

2,3-Dihydro-1H-indole-4-carbonitrile|CS-0019352

Structure of 885278-80-8

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General Information

  • CAS No. 885278-80-8
  • Cat. No. CS-0019352
  • Purity ≥97%
  • MDL No. MFCD09026831
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂
  • Molecular Weight 144.17
  • Synonym(s) Indoline-4-carbonitrile; 2,3-DIHYDRO-1H-INDOLE-4-CARBONITRILE HYDROCHLORIDE
  • SMILES N#CC1=CC=CC2=C1CCN2

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; GINN, John David; MARSHALL, Daniel Richard; SIBLEY, Robert; SORCEK, Ronald John; YOUNG, Erick Richard Roush; ZHANG, Yunlong Patent: WO2012/6202 A1, 2012 ; Location in patent: Page/Page column 85-86 ; WO 2012/006202 A1
  • Route2

    References

    • Chekler, Eugene L. Piatnitski; Unwalla, Rayomond; Khan, Taukeer A.; Tangirala, Raghuram S.; Johnson, Mark; St. Andre, Michael; Anderson, James T.; Kenney, Thomas; Chiparri, Sue; McNally, Chris; Kilbourne, Edward; Thompson, Catherine; Nagpal, Sunil; Weber, Gregory; Schelling, Scott; Owens, Jane; Morris, Carl A.; Powell, Dennis; Verhoest, Patrick R.; Gilbert, Adam M. Journal of Medicinal Chemistry, 2014 , vol. 57, # 6 p. 2462 - 2471
  • Route3

    References

    • Chekler, Eugene L. Piatnitski; Unwalla, Rayomond; Khan, Taukeer A.; Tangirala, Raghuram S.; Johnson, Mark; St. Andre, Michael; Anderson, James T.; Kenney, Thomas; Chiparri, Sue; McNally, Chris; Kilbourne, Edward; Thompson, Catherine; Nagpal, Sunil; Weber, Gregory; Schelling, Scott; Owens, Jane; Morris, Carl A.; Powell, Dennis; Verhoest, Patrick R.; Gilbert, Adam M. Journal of Medicinal Chemistry, 2014 , vol. 57, # 6 p. 2462 - 2471

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   1.52628
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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