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2′-(3-Dodecylphenyl)-1′,5′-dihydro-1′-methyl-2′H-[5,6]fullereno-C60-Ih-[1,9-c]pyrrole

  • CAS No. 403483-19-2

  • Cat. No. CS-0163571
  • Purity≥98%
  • MDL No.None

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

2′-(3-Dodecylphenyl)-1′,5′-dihydro-1′-methyl-2′H-[5,6]fullereno-C60-Ih-[1,9-c]pyrrole|CS-0163571

Structure of 403483-19-2

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General Information

  • CAS No. 403483-19-2
  • Cat. No. CS-0163571
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈₁H₃₅N
  • Molecular Weight 1022.15
  • Synonym(s) C60-fused N-Methylpyrrolidine-m-C12-phenyl
  • SMILES CN1C(C2=CC=CC(CCCCCCCCCCCC)=C2)C34C5=C6C7=C8C9=C%10C(C%11=CC=C(C%12=CC=C%13C%14=CC=C%153)C%16=C%11C%10=C7C%17=C%16C%12=C%13C(C%144C1)=C6%17)=CC=C9C%18=CC=C%15C5=C8%18

Synthesis

  • Route1

    References

    • Journal of Fluorine Chemistry, , vol. 144, p. 51 - 58

Safety Information

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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   3.24
  • LogP   16.3211
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   12

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