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CS-W001157 4
Total: USD 88.00

PTCBI cis-and trans-mixture

  • CAS No. 79534-91-1

  • Cat. No. CS-0373783
  • Molecule weight1073.08
  • Purity≥98%
  • MDL No.None

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

PTCBI cis-and trans-mixture|CS-0373783

Structure of 79534-91-1

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General Information

  • CAS No. 79534-91-1
  • Cat. No. CS-0373783
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇₂H₃₂N₈O₄
  • Molecular Weight 1073.08
  • Synonym(s) PTCBI (cis- and trans- mixture)
  • SMILES O=C1C2=CC=C3C4=CC=C5C(N6C(C7=C5C4=C(C8=C3C2=C(C9=NC%10=C(N19)C=CC=C%10)C=C8)C=C7)=NC%11=C6C=CC=C%11)=O.O=C%12C%13=CC=C%14C(C=CC(C%15=NC%16=C(N%15%17)C=CC=C%16)=C%18%19)=C%18C(C%20=C%14C%13=C(C%21=NC%22=C(N%12%21)C=CC=C%22)C=C%20)=CC=C%19C%17=O

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   137.48
  • LogP   14.4828
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   0

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