Ethyl-bis(beta-chloroethyl)amine oxide
TL;DR: Ethyl-bis(beta-chloroethyl)amine oxide (CAS 63978-54-1) is a chemical compound with molecular formula C6H13Cl2NO and molecular weight 185.03741 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(2-chloroethyl)-N-ethylethanamine oxide
Also Known As: HN1 amine oxide, Ethyl-bis(beta-chloroethyl)amine oxide, 2,2'-Dichlorotriethylamine N-oxide, Triethylamine, 2,2'-dichloro-, N-oxide, Ethylbis(2-chloroethyl)amine N-oxide
Technical Specifications
| Molecular Formula | C6H13Cl2NO |
| Molecular Weight | 185.03741 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 18.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 185.03741 Da |
| Heavy Atoms | 10 |
| Complexity | 83.0 |
| SMILES | CC[N+](CCCl)(CCCl)[O-] |
| InChIKey | DPHJIIKILUCABY-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl-bis(beta-chloroethyl)amine oxide
Property Insights of Ethyl-bis(beta-chloroethyl)amine oxide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl-bis(beta-chloroethyl)amine oxide. With a topological polar surface area (TPSA) of 18.1 Ų, Ethyl-bis(beta-chloroethyl)amine oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl-bis(beta-chloroethyl)amine oxide 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 Ethyl-bis(beta-chloroethyl)amine oxide?
The CAS number of Ethyl-bis(beta-chloroethyl)amine oxide is 63978-54-1.
What is the molecular formula of Ethyl-bis(beta-chloroethyl)amine oxide?
The molecular formula of Ethyl-bis(beta-chloroethyl)amine oxide is C6H13Cl2NO.
What is the molecular weight of Ethyl-bis(beta-chloroethyl)amine oxide?
The molecular weight of Ethyl-bis(beta-chloroethyl)amine oxide is 185.03741 g/mol.
Where can I buy Ethyl-bis(beta-chloroethyl)amine oxide?
You can request a quote for Ethyl-bis(beta-chloroethyl)amine oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl-bis(beta-chloroethyl)amine oxide?
Yes, CoreyChem provides custom synthesis services for Ethyl-bis(beta-chloroethyl)amine oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.