Dimethylcarbamoyl Chloride
TL;DR: Dimethylcarbamoyl Chloride (CAS 79-44-7) is a chemical compound with molecular formula C3H6ClNO and molecular weight 107.013794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethylcarbamoyl chloride
Also Known As: DIMETHYLCARBAMOYL CHLORIDE, Dimethylcarbamyl chloride, Dimethylcarbamic chloride, N,N-Dimethylcarbamoyl chloride, Carbamic chloride, dimethyl-
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H6ClNO |
| Molecular Weight | 107.013794 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.013794 Da |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
| Melting Point | -27 °F (NTP, 1992) |
| Boiling Point | 329 to 333 °F at 760 mmHg (NTP, 1992) |
| Density | 1.168 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 155 °F (NTP, 1992) |
| Vapor Pressure | 1.95 [mmHg] |
| Refractive Index | Index of refraction: 1.4529 @ 20 °C/D |
| Solubility | Decomposes (NTP, 1992) |
| SMILES | CN(C)C(=O)Cl |
| InChIKey | YIIMEMSDCNDGTB-UHFFFAOYSA-N |
Product Description
Applications: Dimethylcarbamoyl Chloride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Dimethylcarbamoyl Chloride is a heterocyclic building block identified by CAS number 79-44-7 and the molecular formula C3H6ClNO and a molecular weight of 107.01 g/mol. Physically, the compound has a density of 1.168 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: Decomposes (NTP, 1992). Synonyms include DIMETHYLCARBAMOYL CHLORIDE and Dimethylcarbamyl chloride.
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 Dimethylcarbamoyl Chloride
Property Insights of Dimethylcarbamoyl Chloride
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethylcarbamoyl Chloride. With a topological polar surface area (TPSA) of 20.3 Ų, Dimethylcarbamoyl Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylcarbamoyl Chloride has 0 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 Dimethylcarbamoyl Chloride?
The CAS number of Dimethylcarbamoyl Chloride is 79-44-7.
What is the molecular formula of Dimethylcarbamoyl Chloride?
The molecular formula of Dimethylcarbamoyl Chloride is C3H6ClNO.
What is the molecular weight of Dimethylcarbamoyl Chloride?
The molecular weight of Dimethylcarbamoyl Chloride is 107.013794 g/mol.
What are the applications of Dimethylcarbamoyl Chloride?
Dimethylcarbamoyl Chloride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Dimethylcarbamoyl Chloride?
You can request a quote for Dimethylcarbamoyl Chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethylcarbamoyl Chloride?
Yes, CoreyChem provides custom synthesis services for Dimethylcarbamoyl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.