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3-Chloro-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one

  • CAS No. 91494-44-9

  • Cat. No. CS-0316890
  • Molecule weight223.70
  • Purity95+%
  • MDL No.None

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

3-Chloro-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one|CS-0316890

Structure of 91494-44-9

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General Information

  • CAS No. 91494-44-9
  • Cat. No. CS-0316890
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄ClNO
  • Molecular Weight 223.70
  • Synonym(s) 1-(3-Chloropropanoyl)-1,2,3,4-tetrahydroquinoline
  • SMILES C1=CC=C2C(=C1)CCCN2C(=O)CCCl

Synthesis

  • Route1

    References

    • PFIZER PRODUCTS INC. Patent: WO2008/15516 A1, 2008 ; Location in patent: Page/Page column 32 ;

Safety Information

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GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   2.5947
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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