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5-(Aminomethyl)-2-chloroaniline

  • CAS No. 94568-51-1

  • Cat. No. CS-0283886
  • Purity≥97%
  • MDL No.None

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

5-(Aminomethyl)-2-chloroaniline|CS-0283886

Structure of 94568-51-1

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General Information

  • CAS No. 94568-51-1
  • Cat. No. CS-0283886
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉ClN₂
  • Molecular Weight 156.61
  • Synonym(s) 3-amino-4-chlorobenzylamine
  • SMILES NC1=CC(CN)=CC=C1Cl

Synthesis

  • Route1

    References

    • GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED; HENDRICKSON, Thomas, Francis; HO, Koc-Kan; SAUNDERS, Michael, David; STEVENS, Brian, John; SWIERCZEK, Krzysztof; WRIGHT, Kevin, Bret Patent: WO2013/62945 A1, 2013 ; Location in patent: Page/Page column 104 ; WO 2013/062945 A1
  • Route2

    References

    • Zhao, Guohua; Bolton, Scott A.; Kwon, Chet; Hartl, Karen S.; Seiler, Steven M.; Slusarchyk, William A.; Sutton, James C.; Bisacchi, Gregory S. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 2 p. 309 - 312

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   52.04
  • LogP   1.3809
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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