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CS-W001157 4
Total: USD 88.00

2-Aminohex-5-enoic acid

  • CAS No. 16258-05-2

  • Cat. No. CS-0447649
  • Purity≥98%
  • MDL No.None

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

2-Aminohex-5-enoic acid|CS-0447649

Structure of 16258-05-2

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General Information

  • CAS No. 16258-05-2
  • Cat. No. CS-0447649
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₁NO₂
  • Molecular Weight 129.16
  • Synonym(s) rac-histidine monohydrochloride
  • SMILES C=CCCC(C(=O)O)N

Synthesis

  • Route1
    • tert-Butyl 2-((tert-butoxycarbonyl)amino)hex-5-enoate|CS-0731727
      151294-93-8
    • ~%
    • 2-Aminohex-5-enoic acid|CS-0447649
      16258-05-2

    References

    • ENANTA PHARMACEUTICALS, INC.; QIU, Yao-Ling; WANG, Ce; PENG, Xiaowen; YING, Lu; CAO, Hui; OR, Yat, Sun Patent: WO2011/91417 A1, 2011 ; Location in patent: Page/Page column 84 ;
  • Route2
    • Diethyl 2-acetamido-2-(but-3-en-1-yl)malonate|CS-0935686
      122471-00-5
    • ~%
    • 2-Aminohex-5-enoic acid|CS-0447649
      16258-05-2

    References

    • Van Hest, Jan C. M.; Kiick, Kristi L.; Tirrell, David A. Journal of the American Chemical Society, 2000 , vol. 122, # 7 p. 1282 - 1288
  • Route3
    • 2-Acetamidohex-5-enoic acid|CS-0344316
      141943-64-8
    • ~85%
    • 2-Aminohex-5-enoic acid|CS-0447649
      16258-05-2

    References

    • Biagini, Stefano C. G.; Gibson, Susan E.; Keen, Stephen P. Journal of the Chemical Society - Perkin Transactions 1, 1998 , # 16 p. 2485 - 2499

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.32
  • LogP   0.3645
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   4

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