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CS-W001157 4
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8-Amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

  • CAS No. 54621-18-0

  • Cat. No. CS-0163726
  • Purity≥96%
  • MDL No.None

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

8-Amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid|CS-0163726

Structure of 54621-18-0

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General Information

  • CAS No. 54621-18-0
  • Cat. No. CS-0163726
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₅NO₄
  • Molecular Weight 201.22
  • Synonym(s) 8-ammonio-1,4-dioxaspiro[4.5]decane-8-carboxylate
  • SMILES NC(CC1)(C(O)=O)CCC21OCCO2

Description

8-Amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid features a rigid spirocyclic scaffold that enhances metabolic stability while presenting a bifunctional handle: a primary amine and a carboxylic acid group positioned at the spirocenter. This spatially defined architecture enables site-specific conjugation in peptide synthesis and drug discovery applications. The molecule exhibits favorable solubility in aqueous and polar organic solvents under standard conditions.

Application

8-Amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid serves as a versatile spirocyclic scaffold for medicinal chemistry applications, offering a rigid, three-dimensional core with orthogonal functional handles. The amino and carboxylic acid groups enable straightforward derivatization via amidation, alkylation, or reductive amination, while the spirocyclic framework imparts conformational stability and enhanced metabolic resistance. Its bench-stable crystalline nature facilitates purification and handling in standard synthetic workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P264-P270-P280-P330-P501

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Computational Chemistry Data

  • TPSA   81.78
  • LogP   0.0856
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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