二甲氨基甲酰氯
TL;DR: 二甲氨基甲酰氯 (CAS 79-44-7) is a chemical compound with molecular formula C3H6ClNO and molecular weight 107.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二甲氨基甲酰氯
N,N-dimethylcarbamoyl chloride
Also Known As: DIMETHYLCARBAMOYL CHLORIDE, Dimethylcarbamyl chloride, Dimethylcarbamic chloride, N,N-Dimethylcarbamoyl chloride, Carbamic chloride, dimethyl-
| Molecular Formula | C3H6ClNO |
|---|---|
| Molecular Weight | 107.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.013794 |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
| Melting Point | -32.8 °C |
| Boiling Point | 329 to 167.2 °C at 760 mmHg |
| Density | 1.168 at 20.0 °C |
| Solubility | Decomposes (NTP, 1992) |
| Flash Point | 68.3 °C |
| Vapor Pressure | 1.95 [mmHg] |
| Refractive Index | 1.4529 @ 20 °C |
Chemical Identifiers
| CAS Number | 79-44-7 |
|---|---|
| SMILES | CN(C)C(=O)Cl |
| InChIKey | YIIMEMSDCNDGTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二甲氨基甲酰氯 (CAS 79-44-7), with molecular formula C3H6ClNO and molecular weight 107.01 g/mol. IUPAC: N,N-dimethylcarbamoyl chloride.
Chemical Property Profile of 二甲氨基甲酰氯
Property Insights of 二甲氨基甲酰氯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二甲氨基甲酰氯. With a topological polar surface area (TPSA) of 20.3 Ų, 二甲氨基甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二甲氨基甲酰氯 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
Frequently Asked Questions
What is the CAS number of 二甲氨基甲酰氯?
The CAS number of 二甲氨基甲酰氯 is 79-44-7.
What is the molecular formula of 二甲氨基甲酰氯?
The molecular formula of 二甲氨基甲酰氯 is C3H6ClNO.
What is the molecular weight of 二甲氨基甲酰氯?
The molecular weight of 二甲氨基甲酰氯 is 107.01 g/mol.
Where can I buy 二甲氨基甲酰氯?
You can request a quote for 二甲氨基甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二甲氨基甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 二甲氨基甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.