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CS-W001157 4
Total: USD 88.00

3,9-Diazaspiro[5.5]undecan-2-one

  • CAS No. 867006-20-0

  • Cat. No. CS-0000423
  • Molecule weight168.24
  • Purity≥98%
  • MDL No.MFCD13179151

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

3,9-Diazaspiro[5.5]undecan-2-one|CS-0000423

Structure of 867006-20-0

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General Information

  • CAS No. 867006-20-0
  • Cat. No. CS-0000423
  • Purity ≥98%
  • MDL No. MFCD13179151
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆N₂O
  • Molecular Weight 168.24
  • Synonym(s) 3,9-diazaspiro[5.5]undecan-4-one
  • SMILES O=C1NCCC2(CCNCC2)C1

Description

3,9-Diazaspiro[5.5]undecan-2-one features a rigid spirocyclic core with strategically positioned nitrogen atoms, enabling precise spatial control in molecular design. This bench-stable scaffold integrates seamlessly into complex heterocycles and serves as a key building block in medicinal chemistry for targeted ligand development.

Application

3,9-Diazaspiro[5.5]undecan-2-one serves as a rigid, bicyclic scaffold enabling the construction of diverse heterocyclic systems and bioactive molecules. Its spirocyclic architecture provides defined stereochemistry and enhanced metabolic stability, while the ketone and two nitrogen atoms offer versatile sites for functionalization. The compound exhibits excellent bench stability and compatibility with standard synthetic transformations, facilitating efficient access to complex molecular architectures in medicinal chemistry and process development workflows.

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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   41.13
  • LogP   0.2662
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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