2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride
TL;DR: 2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride (CAS 14721-77-8) is a chemical compound with molecular formula C8H19ClN2O2 and molecular weight 210.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylcarbamoyloxy)ethyl-trimethylazanium chloride
Also Known As: Choline Impurity 4, Choline chloride, dimethylcarbamate, choline chloride dimethylcarbamate, Choline, chloride, dimethylcarbamate, Choline, beta-(N,N-dimethylcarbamyloxy)-, chloride
| Molecular Formula | C8H19ClN2O2 |
|---|---|
| Molecular Weight | 210.11 g/mol |
| LogP | -2.61 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.11351 |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 14721-77-8 |
|---|---|
| SMILES | CN(C)C(=O)OCC[N+](C)(C)C.[Cl-] |
| InChIKey | SZUIEUUMVHJAOU-UHFFFAOYSA-M |
Product Overview
2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride (CAS 14721-77-8), with molecular formula C8H19ClN2O2 and molecular weight 210.11 g/mol. IUPAC: 2-(dimethylcarbamoyloxy)ethyl-trimethylazanium chloride.
Chemical Property Profile of 2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride
Property Insights of 2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride
The XLogP value of -2.61 indicates that 2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.5 Ų, 2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride has 0 hydrogen bond donor(s) and 3 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 2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride?
The CAS number of 2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride is 14721-77-8.
What is the molecular formula of 2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride?
The molecular formula of 2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride is C8H19ClN2O2.
What is the molecular weight of 2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride?
The molecular weight of 2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride is 210.11 g/mol.
Where can I buy 2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride?
You can request a quote for 2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.