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CS-W001157 4
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2-(2-Amino-2-oxoethyl)isoquinolin-2-ium chloride

  • CAS No. 78572-48-2

  • Cat. No. CS-0549786
  • Purity≥98%
  • MDL No.None

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

2-(2-Amino-2-oxoethyl)isoquinolin-2-ium chloride|CS-0549786

Structure of 78572-48-2

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General Information

  • CAS No. 78572-48-2
  • Cat. No. CS-0549786
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁ClN₂O
  • Molecular Weight 222.67
  • Synonym(s) 2-isoquinolin-2-ium-2-ylacetamide chloride
  • SMILES C1=CC=C2C=[N+](C=CC2=C1)CC(=O)N.[Cl-]

Synthesis

  • Route1

    References

    • Katritzky, Alan R.; Grzeskowiak, Nicholas E.; Alvarez-Builla, Julio Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 1180 - 1185

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

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Computational Chemistry Data

  • TPSA   46.97
  • LogP   -2.3834
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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