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CS-W001157 4
Total: USD 88.00

Spinacine

  • CAS No. 59981-63-4

  • Cat. No. CS-0063803
  • Purity≥98%
  • MDL No.MFCD11518850

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

Spinacine|CS-0063803

Structure of 59981-63-4

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General Information

  • CAS No. 59981-63-4
  • Cat. No. CS-0063803
  • Purity ≥98%
  • MDL No. MFCD11518850
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉N₃O₂
  • Molecular Weight 167.17
  • Synonym(s) (S)-Spinacine
  • SMILES O=C([C@@H]1CC2=C(NC=N2)CN1)O

Description

Spinacine is a bench-stable, moisture-tolerant pyridine derivative featuring a strategically positioned electron-deficient heterocyclic core. This structure enables efficient coupling in late-stage functionalization workflows, delivering high yields under mild conditions. The molecule integrates seamlessly into synthetic sequences requiring selective nitrogen coordination or stabilization of reactive intermediates.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   78.01
  • LogP   -0.4914
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   1

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