Ethanol mustard
TL;DR: Ethanol mustard (CAS 63978-53-0) is a chemical compound with molecular formula C6H14Cl3NO and molecular weight 221.0141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(2-chloroethyl)amino]ethanol;hydrochloride
Also Known As: Ethanol mustard, 2-(Bis(2-chloroethyl)amino)ethanol hydrochloride, NIOSH/KJ7610000, ETHANOL MUSTARD HYDROCHLORIDE, 2-[bis(2-chloroethyl)amino]ethanol;hydrochloride
Technical Specifications
| Molecular Formula | C6H14Cl3NO |
| Molecular Weight | 221.0141 g/mol |
| XLogP | 1.18 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.0141 Da |
| Heavy Atoms | 11 |
| Complexity | 66.0 |
| SMILES | C(CO)N(CCCl)CCCl.Cl |
| InChIKey | DECSLTUASJOEBZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethanol mustard
Property Insights of Ethanol mustard
The XLogP value of 1.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol mustard. With a topological polar surface area (TPSA) of 23.5 Ų, Ethanol mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol mustard has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethanol mustard?
The CAS number of Ethanol mustard is 63978-53-0.
What is the molecular formula of Ethanol mustard?
The molecular formula of Ethanol mustard is C6H14Cl3NO.
What is the molecular weight of Ethanol mustard?
The molecular weight of Ethanol mustard is 221.0141 g/mol.
Where can I buy Ethanol mustard?
You can request a quote for Ethanol mustard directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanol mustard?
Yes, CoreyChem provides custom synthesis services for Ethanol mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.