Tris(2-chloroethyl)amine
TL;DR: Tris(2-chloroethyl)amine (CAS 555-77-1) is a chemical compound with molecular formula C6H12Cl3N and molecular weight 203.00352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N,N-bis(2-chloroethyl)ethanamine
Also Known As: trichlormethine, Trimustine, Sinalost base, Trimitan base, Triclormetina
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12Cl3N |
| Molecular Weight | 203.00352 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 203.00352 Da |
| Heavy Atoms | 10 |
| Complexity | 55.0 |
| Melting Point | 25 °F (EPA, 1998) |
| Boiling Point | 493 °F at 760 mmHg (calculated, decomposes) (EPA, 1998) |
| Density | 1.2347 (EPA, 1998) - Denser than water; will sink |
| Flash Point | High enough not to interfere with military use of the agent (EPA, 1998) |
| Vapor Pressure | 0.0109 mmHg at 77 °F (EPA, 1998) |
| Refractive Index | Index of refraction: 1.4925 @ 25 °C/D |
| Solubility | The undiluted liq decomp on standing and forms polymeric quaternary ammonium salts which are insol in the free base |
| SMILES | C(CCl)N(CCCl)CCCl |
| InChIKey | FDAYLTPAFBGXAB-UHFFFAOYSA-N |
Product Description
Applications: Tris(2-chloroethyl)amine is used in pharmaceutical synthesis routes and API production, as well as peptide synthesis and amino acid derivative chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Tris(2-chloroethyl)amine (CAS 555-77-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Tris(2-chloroethyl)amine is a pharmaceutical intermediate identified by CAS number 555-77-1 and the molecular formula C6H12Cl3N and a molecular weight of 203 g/mol. Physically, the compound has a density of 1.2347 (EPA, 1998) - Denser than water; will sink g/cm³, a solubility: The undiluted liq decomp on standing and forms polymeric quaternary ammonium salts which are insol in the free base. It is also known as trichlormethine and Trimustine.
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 Tris(2-chloroethyl)amine
Property Insights of Tris(2-chloroethyl)amine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tris(2-chloroethyl)amine. With a topological polar surface area (TPSA) of 3.2 Ų, Tris(2-chloroethyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tris(2-chloroethyl)amine 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 Tris(2-chloroethyl)amine?
The CAS number of Tris(2-chloroethyl)amine is 555-77-1.
What is the molecular formula of Tris(2-chloroethyl)amine?
The molecular formula of Tris(2-chloroethyl)amine is C6H12Cl3N.
What is the molecular weight of Tris(2-chloroethyl)amine?
The molecular weight of Tris(2-chloroethyl)amine is 203.00352 g/mol.
What are the applications of Tris(2-chloroethyl)amine?
Tris(2-chloroethyl)amine is used in pharmaceutical synthesis routes and API production, as well as peptide synthesis and amino acid derivative chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Tris(2-chloroethyl)amine (CAS 555-77-1) with custom...
Where can I buy Tris(2-chloroethyl)amine?
You can request a quote for Tris(2-chloroethyl)amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tris(2-chloroethyl)amine?
Yes, CoreyChem provides custom synthesis services for Tris(2-chloroethyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.