Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride
TL;DR: Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride (CAS 5447-94-9) is a chemical compound with molecular formula C8H18Cl3NO2 and molecular weight 265.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-2-ethoxyethanamine oxide;hydrochloride
Also Known As: Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride, 2,2'-Dichloro-2''-ethoxytriethylamine N-oxide hydrochloride, N,N-bis(2-chloroethyl)-2-ethoxyethanamine oxide hydrochloride, 2-Chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)ethan-1-amine N-oxide--hydrogen chloride (1/1), RefChem:386171
| Molecular Formula | C8H18Cl3NO2 |
|---|---|
| Molecular Weight | 265.04 g/mol |
| LogP | 2.2369 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 265.0403 |
| Heavy Atoms | 14 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 5447-94-9 |
|---|---|
| SMILES | CCOCC[N+](CCCl)(CCCl)[O-].Cl |
| InChIKey | OLLJRQVLWRYCOO-UHFFFAOYSA-N |
Product Overview
Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride (CAS 5447-94-9), with molecular formula C8H18Cl3NO2 and molecular weight 265.04 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2-ethoxyethanamine oxide;hydrochloride.
Chemical Property Profile of Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride
Property Insights of Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride
The XLogP value of 2.2369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride. With a topological polar surface area (TPSA) of 27.3 Ų, Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride has 1 hydrogen bond donor(s) and 2 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 Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride?
The CAS number of Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride is 5447-94-9.
What is the molecular formula of Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride?
The molecular formula of Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride is C8H18Cl3NO2.
What is the molecular weight of Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride?
The molecular weight of Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride is 265.04 g/mol.
Where can I buy Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride?
You can request a quote for Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Triethylamine, 2,2'-dichloro-2''-ethoxy-, N-oxide, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.