Poly(dimethylamine-co-epichlorohydrin)

• CAS: 25988-97-0
• Catalog Number: ACM25988970-2
• Category: Other Products
• Molecular Weight: 137.61g/mol
• Molecular Formula: C5H12ClNO
• Synonyms: N,N-Dimethyl-2-hydroxypropylammonium chloride polymer
• IUPAC Name: 2-(chloromethyl)oxirane;N-methylmethanamine
• Canonical SMILES: CNC.C1C(O1)CCl
• InChI: InChI=1S/C3H5ClO.C2H7N/c4-1-3-2-5-3;1-3-2/h3H,1-2H2;3H,1-2H3
• InChI Key: BUAXCDYBNXEWEB-UHFFFAOYSA-N
• Density: 1.1g/mL at 25°C
• Application: Cooling systems and air washers, swimming pools, whirlpools, hot tubs and paper mill waters
• Storage: Storage for ten months in room shady and dry place.
• Complexity: 40.6
• Covalently-Bonded Unit Count: 2
• EC Number: 271-840-5;607-843-9
• Exact Mass: 137.060742g/mol
• Formal Charge: 0
• Hazard Statements: Xi
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 8
• Monoisotopic Mass: 137.060742g/mol
• pH: 6.0-9.0 (10% aqueous)
• Physical State: Colorless To Light Yellow
• Rotatable Bond Count: 1
• Safety Description: 23-26-36/37/39

Case Study

Treatment of Commercial Dishwasher Wastewater with Poly(dimethylamine-co-epichlorohydrin)

Wu, Wanpeng, Matthew J. Palmarin, and Stephanie Young. Separation and Purification Technology 195 (2018): 281-287.

When treating commercial dishwasher wastewater, particles in the dispersed phase often need to be destabilized to facilitate their separation by gravity. Alum and other metal salts are commonly used for this purpose, but require relatively large dosages. Cationic polymers can destabilize colloids at much smaller dosages, and poly(dimethylamine-co-epichlorohydrin) was investigated as a potential alternative to alum. This polymer, poly(dimethylamine-co-epichlorohydrin), showed the highest removal efficiency compared to alum and the other seven cationic polymers tested. Under optimal conditions, a 0.10 mg L dose of poly(dimethylamine-co-epichlorohydrin) was able to remove up to 87% of the oil and 90% of the turbidity from the wastewater sample. The removal efficiency was further improved when the polymer and alum were used together. Poly(dimethylamine-co-epichlorohydrin) at a dosage of 0.10 mg/L and alum at a dosage of 200 mg·L produced removal efficiencies of 95.6%, 94.6%, 73.0%, and 94.4% for oil, turbidity, chemical oxygen demand, and 5-day biochemical oxygen demand, respectively.
Eight polymer demulsifiers were selected for examination. Four of the demulsifiers contained polyamines derived from dimethylamine, epichlorohydrin, and ethylenediamine. The remaining four demulsifiers contained polymers derived from diallyldimethylammonium chloride (DADMAC). Stock solutions of each demulsifier were prepared to a concentration of 0.5 mg/mL. A stock solution of alum was prepared to a concentration of 100 mg·mL. The pressure tank was filled with approximately 2.7 L of clean water and pressurized to 415 kPa. At this pressure, the compressed air in the container easily dissolved into the water to form a supersaturated solution. The tank was manually shaken to accelerate dissolution. Coagulation was achieved using alum, polymer, or a mixture of both in different ratios. The samples were mixed rapidly for 3 minutes with an average velocity gradient of 193 seconds, followed by slow mixing for 15 minutes with an average velocity gradient of 62 seconds. Mixing was achieved using an air pump and a diffuser at exhaust rates of 800 mL/min and 80 mL/min, respectively. After the coagulation and flocculation steps were completed, 375 mL of the supersaturated air-water solution was transferred from the pressure tank to the flotation column. The rapid change in pressure triggered the formation of microbubbles. Microbubbles are advantageous over macrobubbles because they rise much more slowly, which increases their residence time and minimizes hydraulic disturbances.

Monitoring PFOS Binding Assays to Poly(dimethylamine-co-epichlorohydrin)

Anderson, Evan L., et al. ACS omega 4.1 (2019): 1068-1076.

The equilibrium constants for the binding of PFOS to poly(dimethylamine-co-epichlorohydrin) and poly(diallyldimethylammonium) in simulated groundwater and soil suspensions were determined using a fluorinated phase ion selective electrode (ISE). A new approach was introduced to interpret the potentiometric data for surfactant binding to the charged repeating units of these polyions by combining a 1:1 binding model with an ISE response model. This allowed for a direct prediction and fit of the experimental potentiometric data in one step. The data were fit to the model for poly(diallyldimethylammonium) and poly(dimethylamine-epichlorohydrin) chloride. Knowledge of these PFOS binding properties allows for quantitative prediction of the mobile (free) and polymer-bound fractions of PFOS as a function of polyquaternium polymer concentration when the total PFOS concentration in the soil system is known.
The polyquaternium polymer was added to a solution at a constant total PFOS concentration. After equilibrating the ISE with a pH-buffered PFOS solution, the electrode was rinsed and placed in a solution containing only 10.0 mM NaHCO3 (pH = 7.0 adjusted with 1.0 M HCl). The potential was monitored until stable (approximately 20 minutes). The PFOS concentration was then increased stepwise to 25.4 μM by small additions (Δlog[PFOS] ≈ 0.3) of concentrated KPFOS solution (0.735 mM), while monitoring the potential after each addition. Once a concentration of 25.4 μM KPFOS was reached, poly(diallyldimethylammonium) chloride or poly(dimethylamine-co-epichlorohydrin) was added stepwise to increase the polymer concentration in increments of log[polymer] ≈ 0.3. The measured potential was allowed to stabilize after each addition (approximately 5 minutes).

Custom Q&A

What is the molecular formula of Poly(dimethylamine-co-epichlorohydrin)?

The molecular formula is C5H12ClNO.

What is the molecular weight of Poly(dimethylamine-co-epichlorohydrin)?

The molecular weight is 137.61 g/mol.

How is the IUPAC Name computed for Poly(dimethylamine-co-epichlorohydrin)?

The IUPAC Name is computed as 2-(chloromethyl)oxirane;N-methylmethanamine.

What is the Canonical SMILES representation of Poly(dimethylamine-co-epichlorohydrin)?

The Canonical SMILES is CNC.C1C(O1)CCl.

How many hydrogen bond donor counts are there in Poly(dimethylamine-co-epichlorohydrin)?

There is 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts are there in Poly(dimethylamine-co-epichlorohydrin)?

There are 2 hydrogen bond acceptor counts.

What is the topological polar surface area of Poly(dimethylamine-co-epichlorohydrin?

The topological polar surface area is 24.6 Ų.

How many heavy atoms are there in Poly(dimethylamine-co-epichlorohydrin?

There are 8 heavy atoms.

Is the compound canonicalized?

Yes, the compound is canonicalized.

When was Poly(dimethylamine-co-epichlorohydrin created and last modified according to the reference?

It was created on 2005-08-08 and last modified on 2023-12-30.