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CS-W001157 4
Total: USD 88.00

4-(Tert-butyl)cyclohexane-1-carboxylic acid

  • CAS No. 5451-55-8

  • Cat. No. CS-0453487
  • Purity≥98%
  • MDL No.None

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

4-(Tert-butyl)cyclohexane-1-carboxylic acid|CS-0453487

Structure of 5451-55-8

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General Information

  • CAS No. 5451-55-8
  • Cat. No. CS-0453487
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₀O₂
  • Molecular Weight 184.28
  • Synonym(s) trans-4-tert-Butylcyclohexanecarboxylic acid
  • SMILES CC(C)(C)C1CCC(CC1)C(=O)O

Description

delta pKa between the two stereoisomers of 4-tert-butylcyclohexanecarboxylic acid has been studied using 1H and 13C NMR. Preparation of cis- and trans-4-tert- butylcyclohexanecarboxylic acid has been reported.4-tert-Butylcyclohexanecarboxylic acid may be used in the preparation of N-((S)-3-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)-1-henylpropyl)-4-tert-butylcyclohexanecarboxamide.

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   37.3
  • LogP   2.9235
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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