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CS-W001157 4
Total: USD 88.00

3-(2,3,3-Trimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate

  • CAS No. 76578-90-0

  • Cat. No. CS-0545853
  • Molecule weight361.43
  • Purity≥98%
  • MDL No.MFCD12545732

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

3-(2,3,3-Trimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate|CS-0545853

Structure of 76578-90-0

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General Information

  • CAS No. 76578-90-0
  • Cat. No. CS-0545853
  • Purity ≥98%
  • MDL No. MFCD12545732
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉NO₆S₂
  • Molecular Weight 361.43
  • Synonym(s) 2,3,3-Trimethyl-1-(3-sulfopropyl)-3H-indol-1-ium-5-sulfonate
  • SMILES O=S(CCC[N+]1=C(C)C(C)(C)C2=C1C=CC(S(=O)(O)=O)=C2)([O-])=O

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   114.58
  • LogP   1.2647
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   5

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