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[C3MPr]NTf2

Cat No.:V66434 Purity: ≥98%
[C3MPr]NTf2 is a biochemical compound that may be utilized as a biomaterial or organic/chemical reagent for biomedical research.
[C3MPr]NTf2
[C3MPr]NTf2 Chemical Structure CAS No.: 223437-05-6
Product category: Biochemical Assay Reagents
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
[C3MPr]NTf2 is a biochemical compound that may be utilized as a biomaterial or organic/chemical reagent for biomedical research.
[C3MPr]NTf2 (1-Methyl-1-propylpyrrolidinium bis(trifluoromethylsulfonyl)imide) is an ionic liquid with the molecular formula C10H16F6N2O4S2 and molecular weight 422.36. It is a colorless to pale yellow liquid at room temperature, belonging to the pyrrolidinium-based ionic liquids, and is used as an electrolyte in batteries and electrochemical capacitors.
Biological Activity I Assay Protocols (From Reference)
Targets
There is no biological target for this compound. It is an ionic liquid that may interact with cell membranes if accidentally released, but it has no specific molecular target. Its primary function is as a solvent or electrolyte in materials science.
ln Vitro
No in vitro biological activity is reported. In electrochemical assays, [C3MPr]NTf2 exhibits high ionic conductivity (2-10 mS/cm at 25degC), wide electrochemical window (up to 5.5 V vs. Li+/Li), and high thermal stability (decomposition >300degC). It is used as a non-aqueous electrolyte.
ln Vivo
No in vivo activity is reported. This compound is not used in animals. It is a chemical reagent for non-biological applications.
Enzyme Assay
Not applicable. A standard electrochemical protocol: [C3MPr]NTf2 is mixed with a lithium salt (e.g., LiTFSI) to 1 M concentration. The solution is degassed and used as an electrolyte in a two-electrode or three-electrode cell with metallic lithium or graphite electrodes. Cyclic voltammetry is performed at scan rates of 0.1-10 mV/s.
Cell Assay
No cell-based protocol exists. Ionic liquids can be cytotoxic due to membrane disruption. For cytotoxicity testing, cells (e.g., HeLa or PC12) are exposed to [C3MPr]NTf2 at concentrations of 0.1-10 mM for 24-72 hours, and viability is measured by MTT. However, this is not standard use.
Animal Protocol
No standard in vivo protocol. If accidental exposure occurs in animals, toxicity studies would be performed, but it is not intentionally administered.
ADME/Pharmacokinetics
PK properties are not applicable. The ionic liquid has negligible volatility and is not absorbed systemically under normal handling. It is miscible with some organic solvents but immiscible with water. Formulation is as neat liquid or in organic solvents.
Toxicity/Toxicokinetics
Toxicity: Ionic liquids can be toxic to aquatic organisms. [C3MPr]NTf2 may be irritating to skin and eyes, and aspiration into lungs is harmful. It is not considered highly toxic orally (LD50 >2000 mg/kg in rats for similar ionic liquids). Handle with PPE (gloves, goggles) in a well-ventilated area.
References

[1]. Large chemical language models for property prediction and high-throughput screening of ionic liquids. Digital Discovery, 2025, 4(6): 1505-1517.

Additional Infomation
[C3MPr]NTf2 is a room-temperature ionic liquid used in energy storage devices (supercapacitors, lithium-ion batteries), electrodeposition, and as a green solvent for organic synthesis. Its high electrochemical stability makes it suitable for high-voltage applications. This product is for research use only.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C10H18F6N2O4S2
Molecular Weight
408.38
Exact Mass
408.061
CAS #
223437-05-6
PubChem CID
25171607
Appearance
Colorless to light yellow liquid(Density:1.44 g/cm3)
Melting Point
12 °C
Index of Refraction
1.42
LogP
4.816
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
11
Rotatable Bond Count
4
Heavy Atom Count
24
Complexity
456
Defined Atom Stereocenter Count
0
SMILES
CCC[N+]1(C)CCCC1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChi Key
DKNRELLLVOYIIB-UHFFFAOYSA-N
InChi Code
InChI=1S/C8H18N.C2F6NO4S2/c1-3-6-9(2)7-4-5-8-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-8H2,1-2H3;/q+1;-1
Chemical Name
bis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO: ~200 mg/mL (~489.7 mM; with ultrasonication)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 5 mg/mL (12.24 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 5 mg/mL (12.24 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (50.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

Solubility in Formulation 3: ≥ 5 mg/mL (12.24 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (50.0 mg/mL) to 900 μL of corn oil and mix well.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.4487 mL 12.2435 mL 24.4870 mL
5 mM 0.4897 mL 2.4487 mL 4.8974 mL
10 mM 0.2449 mL 1.2243 mL 2.4487 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration: mg/mL;

Method for preparing DMSO stock solution: mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation::Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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