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4,6-Diamino-2-(chloromethyl)-2,3-dihydrofuro[2,3-b]pyridine-5-carbonitrile

  • CAS No. 68913-66-6

  • Cat. No. CS-0555802
  • Molecule weight224.65
  • Purity≥98%
  • MDL No.None

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

4,6-Diamino-2-(chloromethyl)-2,3-dihydrofuro[2,3-b]pyridine-5-carbonitrile|CS-0555802

Structure of 68913-66-6

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General Information

  • CAS No. 68913-66-6
  • Cat. No. CS-0555802
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉ClN₄O
  • Molecular Weight 224.65
  • Synonym(s) 3,5-diamino-8-(chloromethyl)-9-oxa-2-azabicyclo[4.3.0]nona-1,3,5-triene-4-carbonitrile
  • SMILES N#CC1=C(N)N=C(OC(CCl)C2)C2=C1N

Synthesis

  • Route1

    References

    • Ducker,J.W.; Williams,B.K. Australian Journal of Chemistry, 1978 , vol. 31, p. 2327 - 2331

Safety Information

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GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   97.95
  • LogP   0.65998
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   1

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