N,N'-Dimethylurea
TL;DR: N,N'-Dimethylurea (CAS 96-31-1) is a chemical compound with molecular formula C3H8N2O and molecular weight 88.06366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethylurea
Also Known As: 1,3-DIMETHYLUREA, N,N'-Dimethylurea, sym-Dimethylurea, Dimethylurea, Urea, N,N'-dimethyl-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H8N2O |
| Molecular Weight | 88.06366 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 88.06366 Da |
| Heavy Atoms | 6 |
| Complexity | 46.0 |
| Melting Point | 226 °F (NTP, 1992) |
| Boiling Point | 514 to 518 °F at 760 mmHg (NTP, 1992) |
| Density | 1.142 (NTP, 1992) - Denser than water; will sink |
| Flash Point | 154 °C |
| Vapor Pressure | 0.54 [mmHg] |
| Solubility | greater than or equal to 100 mg/mL at 70 °F (NTP, 1992) |
| SMILES | CNC(=O)NC |
| InChIKey | MGJKQDOBUOMPEZ-UHFFFAOYSA-N |
Product Description
Applications: N,N'-Dimethylurea is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies N,N'-Dimethylurea (CAS 96-31-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
N,N'-Dimethylurea (CAS 96-31-1) is a heterocyclic building block with the molecular formula C3H8N2O and a molecular weight of 88.06 g/mol. Key physical properties include a density of 1.142 (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: greater than or equal to 100 mg/mL at 70 °F (NTP, 1992). It is also known as 1,3-DIMETHYLUREA and N,N'-Dimethylurea.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of N,N'-Dimethylurea
Property Insights of N,N'-Dimethylurea
The XLogP value of -0.5 indicates that N,N'-Dimethylurea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.1 Ų, N,N'-Dimethylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N'-Dimethylurea has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N,N'-Dimethylurea?
The CAS number of N,N'-Dimethylurea is 96-31-1.
What is the molecular formula of N,N'-Dimethylurea?
The molecular formula of N,N'-Dimethylurea is C3H8N2O.
What is the molecular weight of N,N'-Dimethylurea?
The molecular weight of N,N'-Dimethylurea is 88.06366 g/mol.
What are the applications of N,N'-Dimethylurea?
N,N'-Dimethylurea is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies N,N'-Dimethylurea (CAS 96-31-1)...
Where can I buy N,N'-Dimethylurea?
You can request a quote for N,N'-Dimethylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N'-Dimethylurea?
Yes, CoreyChem provides custom synthesis services for N,N'-Dimethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.