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CS-W001157 4
Total: USD 88.00

1-(tert-Butyl) 4-ethyl azepane-1,4-dicarboxylate

  • CAS No. 912444-90-7

  • Cat. No. CS-0047281
  • Purity≥97%
  • MDL No.MFCD18088889

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

1-(tert-Butyl) 4-ethyl azepane-1,4-dicarboxylate|CS-0047281

Structure of 912444-90-7

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General Information

  • CAS No. 912444-90-7
  • Cat. No. CS-0047281
  • Purity ≥97%
  • MDL No. MFCD18088889
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₅NO₄
  • Molecular Weight 271.35
  • Synonym(s) 1-tert-butyl azepane-1,4-dicarboxylate 4-ethyl ester
  • SMILES O=C(N1CCC(C(OCC)=O)CCC1)OC(C)(C)C

Synthesis

  • Route1

    References

    • Zhu, Gui-Dong; Gong, Jianchun; Gandhi, Virajkumar B.; Penning, Thomas D.; Giranda, Vincent L. Patent: US2006/229289 A1, 2006 ; Location in patent: Page/Page column 22-23 ;

Safety Information

Download SDS
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   55.84
  • LogP   2.5867
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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