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3-((2S,3S)-3-amino-1-(4-chlorophenyl)butan-2-yl)benzonitrile

  • CAS No. 732982-66-0

  • Cat. No. CS-0000122
  • Molecule weight284.78
  • Purity≥98%
  • MDL No.None

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

3-((2S,3S)-3-amino-1-(4-chlorophenyl)butan-2-yl)benzonitrile|CS-0000122

Structure of 732982-66-0

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General Information

  • CAS No. 732982-66-0
  • Cat. No. CS-0000122
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₇ClN₂
  • Molecular Weight 284.78
  • Synonym(s) 3-[(2S,3S)-3-Amino-1-(4-chlorophenyl)-2-butyl]benzonitrile
  • SMILES N#CC1=CC=CC([C@@H]([C@H](C)N)CC(C=C2)=CC=C2Cl)=C1

Synthesis

  • Route1
    • null|null
      958851-01-9
    • ~%
    • 3-((2S,3S)-3-amino-1-(4-chlorophenyl)butan-2-yl)benzonitrile|CS-0000122
      732982-66-0

    References

    • MERCK and CO., INC. Patent: WO2007/136607 A2, 2007 ; Location in patent: Page/Page column 58-59 ; WO 2007/136607 A2

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

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   3.88518
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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