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CS-W001157 4
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Methyl 3-aminocyclohexane-1-carboxylate

  • CAS No. 87091-29-0

  • Cat. No. CS-0456738
  • Purity≥98%
  • MDL No.None

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

Methyl 3-aminocyclohexane-1-carboxylate|CS-0456738

Structure of 87091-29-0

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General Information

  • CAS No. 87091-29-0
  • Cat. No. CS-0456738
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₅NO₂
  • Molecular Weight 157.21
  • Synonym(s) Methyl 3-aminocyclohexanecarboxylate
  • SMILES COC(=O)C1CCCC(C1)N

Synthesis

  • Route1
    • Methyl 3-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylate|CS-0473234
      849410-73-7
    • ~%
    • Methyl 3-aminocyclohexane-1-carboxylate|CS-0456738
      87091-29-0

    References

    • SCHERING CORPORATION; SHIPPS, Gerald, W., JR.; HUANG, Xiaohua; DENG, Yongqi; ZHU, Liang; COOPER, Alan, B.; SUN, Binyuan; ACHAB, Abdelghani Abe; LO, Sie-Mun Patent: WO2012/87772 A1, 2012 ; Location in patent: Page/Page column 101 ; WO 2012/087772 A1
  • Route2

    References

    • Elan Pharmaceuticals, Inc. Patent: US7169759 B1, 2007 ; Location in patent: Page/Page column 11; 26-27 ; US 7169759 B1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   0.6769
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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