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CS-W001157 4
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1-Amino-1H-pyrrole-2-carbonitrile

  • CAS No. 159326-66-6

  • Cat. No. CS-0006962
  • Purity≥97%
  • MDL No.MFCD09025773

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

1-Amino-1H-pyrrole-2-carbonitrile|CS-0006962

Structure of 159326-66-6

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General Information

  • CAS No. 159326-66-6
  • Cat. No. CS-0006962
  • Purity ≥97%
  • MDL No. MFCD09025773
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₃
  • Molecular Weight 107.11
  • Synonym(s) 1-aminopyrrole-2-carbonitrile
  • SMILES NN1C(C#N)=CC=C1

Synthesis

  • Route1

    References

    • TIBOTEC PHARMACEUTICALS LTD. Patent: WO2006/35061 A1, 2006 ; Location in patent: Page/Page column 50; 51 ;
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 47, # 16 p. 4054 - 4059
  • Route3

    References

    • Journal of Heterocyclic Chemistry, , vol. 31, # 4 p. 781 - 786

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   54.74
  • LogP   0.07358
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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