Buy 1,3-Dimethylurea | 96-31-1

ANone: The molecular formula of 1,3-Dimethylurea (DMU) is C3H8N2O, and its molecular weight is 88.11 g/mol.

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A: Yes, studies have used various spectroscopic techniques to characterize this compound. These include Raman spectroscopy [], Infrared (IR) spectroscopy [, , ], nuclear magnetic resonance (NMR) spectroscopy (1H NMR and 13C NMR) [, , , , ], and X-ray diffraction [, ].

A: this compound has been successfully utilized in deep eutectic solvents, particularly in combination with choline chloride. These DESs exhibit desirable properties like low viscosity, high conductivity, and good thermal stability, making them suitable for applications such as gas capture [] and PET degradation [].

A: Yes, even trace amounts of water (hundreds of ppm) can significantly impact the polymorphic behavior of this compound. Specifically, water presence can lower the transition temperature between its polymorphic forms from 58°C to 25°C []. This highlights the importance of considering water content in applications involving this compound.

A: While this compound itself might not be a catalyst, it plays a crucial role in forming deep eutectic solvents with catalytic properties. For instance, this compound/Zn(OAc)2 DES exhibits excellent catalytic activity in polyethylene terephthalate (PET) glycolysis, attributed to the synergistic effect of acid and base formed within the DES [].

A: Yes, molecular docking studies have been conducted to investigate the potential interaction of this compound with biological targets like DNA Methyltransferase 1 (DNMT1) []. These simulations provide insights into potential binding modes and affinities, suggesting avenues for further research.

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A: Studies investigating the structure-activity relationship of N-alkylureas and N-alkylthioureas reveal a correlation between their structure and teratogenic potential in rats and mice. For instance, while mono-alkylated thioureas like 1-methylthiourea exhibited teratogenicity, methylated ureas like this compound displayed fetotoxicity and malformations []. This underscores the importance of structural features in determining the biological activity of these compounds.

A: The solubility of this compound has been studied in various solvents, including water and several alcohols (methanol, ethanol, 1-propanol, etc.) [, ]. Generally, its solubility increases with increasing temperature and solvent polarity, suggesting that the dissolution process is endothermic and influenced by solute-solvent interactions.

A: Studies have investigated the toxicological profile of this compound. Animal studies suggest fetotoxicity and potential teratogenic effects at certain doses []. Further research is necessary to fully elucidate potential long-term effects and determine safe exposure limits.

A: Research indicates that sugarcane vinasse can significantly influence the persistence, sorption, and leaching potential of herbicides like this compound in different soil types []. Understanding these interactions is crucial for developing sustainable agricultural practices and minimizing the environmental impact of agrochemicals.

The 1,3-Dimethylurea, with CAS number of 96-31-1, can be called N,N'-Dimethylharnstoff ; N,N'-Dimethylurea ; Symmetric dimethylurea ; sym-Dimethylurea . It is a white crystal, 1,3-Dimethylurea (CAS NO.96-31-1) is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Properties of 1,3-Dimethylurea&#;
(1)H bond acceptors: 3; (2)H bond donors: 2; (3)Freely Rotating Bonds: 0; (4)Index of Refraction: 1.413; (5)Molar Refractivity: 23.16 cm3; (6)Molar Volume: 92.8 cm3; (7)Surface Tension: 27.4 dyne/cm; (8)Density: 0.949 g/cm3; (9)Flash Point: 124.3 °C; (10)Enthalpy of Vaporization: 50.71 kJ/mol; (11)Boiling Point: 269 °C at 760 mmHg; (12)Vapour Pressure: 0. mmHg at 25°C; (13)EINECS: 202-498-7; (14)Melting point: 101-104 °C(lit.); (15)Storage temp: Store at RT. ; (16)Water Solubility: 765 g/L (21.5 oC); (17)BRN: ; (18)Polar Surface Area: 23.55 Å2

Structure Descriptors of 1,3-Dimethylurea:
(1)SMILES:O=C(NC)NC;
(2)Std. InChI:InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6);
(3)Std. InChIKey:MGJKQDOBUOMPEZ-UHFFFAOYSA-N.

Toxicity of 1,3-Dimethylurea: Organism Test Type Route Reported Dose (Normalized Dose) Effect Source mouse LDLo intraperitoneal mg/kg (mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

LUNGS, THORAX, OR RESPIRATION: CYANOSIS Journal of Pharmacology and Experimental Therapeutics. Vol. 54, Pg. 188, . rat LD50 unreported > 2gm/kg (mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. , .
Use of 1,3-Dimethylurea:
1,3-Dimethylurea is used for synthesis of caffeine, theophylline, pharmachemicals, textile aids, herbicides and others. In the textile processing industry 1,3-dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles. The estimated world production of DMU is estimated to be less than 25,000 tons.
 

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