Bis(2-chloroethyl)ethylamine
TL;DR: Bis(2-chloroethyl)ethylamine (CAS 538-07-8) is a chemical compound with molecular formula C6H13Cl2N and molecular weight 169.04251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(2-chloroethyl)-N-ethylethanamine
Also Known As: Bis(2-chloroethyl)ethylamine, Ethyl-S, bis ethylamine, Nitrogen mustard (HN-1), HN-1 cpd
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H13Cl2N |
| Molecular Weight | 169.04251 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 169.04251 Da |
| Heavy Atoms | 9 |
| Complexity | 53.0 |
| Melting Point | -29 °F (EPA, 1998) |
| Boiling Point | 185 °F at 12 mmHg (EPA, 1998) |
| Density | 1.0861 at 73.4 °F (EPA, 1998) - Denser than water; will sink |
| Flash Point | High enough not to interfere with military use of the agent (EPA, 1998) |
| Vapor Pressure | 0.24 mmHg at 77 °F (EPA, 1998) |
| Refractive Index | Index of refraction =1.4653 at 25 °C/D |
| Solubility | In water, 160 mg/l @ 25 °C |
| SMILES | CCN(CCCl)CCCl |
| InChIKey | UQZPGHOJMQTOHB-UHFFFAOYSA-N |
Product Description
Applications: Bis(2-chloroethyl)ethylamine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Bis(2-chloroethyl)ethylamine (CAS 538-07-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Bis(2-chloroethyl)ethylamine (CAS 538-07-8) is a heterocyclic building block with the molecular formula C6H13Cl2N and a molecular weight of 169.04 g/mol. Key physical properties include a density of 1.0861 at 73.4 °F (EPA, 1998) - Denser than water; will sink g/cm³, a solubility: In water, 160 mg/l @ 25 °C. It is also known as Bis(2-chloroethyl)ethylamine and Ethyl-S.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Bis(2-chloroethyl)ethylamine
Property Insights of Bis(2-chloroethyl)ethylamine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-chloroethyl)ethylamine. With a topological polar surface area (TPSA) of 3.2 Ų, Bis(2-chloroethyl)ethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-chloroethyl)ethylamine 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 Bis(2-chloroethyl)ethylamine?
The CAS number of Bis(2-chloroethyl)ethylamine is 538-07-8.
What is the molecular formula of Bis(2-chloroethyl)ethylamine?
The molecular formula of Bis(2-chloroethyl)ethylamine is C6H13Cl2N.
What is the molecular weight of Bis(2-chloroethyl)ethylamine?
The molecular weight of Bis(2-chloroethyl)ethylamine is 169.04251 g/mol.
What are the applications of Bis(2-chloroethyl)ethylamine?
Bis(2-chloroethyl)ethylamine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy Bis(2-chloroethyl)ethylamine?
You can request a quote for Bis(2-chloroethyl)ethylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(2-chloroethyl)ethylamine?
Yes, CoreyChem provides custom synthesis services for Bis(2-chloroethyl)ethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.