Tris(2-chloroethyl)amine hydrochloride
TL;DR: Tris(2-chloroethyl)amine hydrochloride (CAS 817-09-4) is a chemical compound with molecular formula C6H13Cl4N and molecular weight 238.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N,N-bis(2-chloroethyl)ethanamine;hydrochloride
Also Known As: trichlormethine, Trimustine, Tris(2-chloroethyl)amine hydrochloride, Trichlormethin, Trillekamin
| Molecular Formula | C6H13Cl4N |
|---|---|
| Molecular Weight | 238.98 g/mol |
| LogP | 2.43 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.97726 |
| Heavy Atoms | 11 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 817-09-4 |
|---|---|
| SMILES | C(CCl)N(CCCl)CCCl.Cl |
| InChIKey | VEAUDLLZYJVHRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tris(2-chloroethyl)amine hydrochloride (CAS 817-09-4), with molecular formula C6H13Cl4N and molecular weight 238.98 g/mol. IUPAC: 2-chloro-N,N-bis(2-chloroethyl)ethanamine;hydrochloride.
Chemical Property Profile of Tris(2-chloroethyl)amine hydrochloride
Property Insights of Tris(2-chloroethyl)amine hydrochloride
The XLogP value of 2.43 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tris(2-chloroethyl)amine hydrochloride. With a topological polar surface area (TPSA) of 3.2 Ų, Tris(2-chloroethyl)amine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tris(2-chloroethyl)amine hydrochloride has 1 hydrogen bond donor(s) and 1 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 Tris(2-chloroethyl)amine hydrochloride?
The CAS number of Tris(2-chloroethyl)amine hydrochloride is 817-09-4.
What is the molecular formula of Tris(2-chloroethyl)amine hydrochloride?
The molecular formula of Tris(2-chloroethyl)amine hydrochloride is C6H13Cl4N.
What is the molecular weight of Tris(2-chloroethyl)amine hydrochloride?
The molecular weight of Tris(2-chloroethyl)amine hydrochloride is 238.98 g/mol.
Where can I buy Tris(2-chloroethyl)amine hydrochloride?
You can request a quote for Tris(2-chloroethyl)amine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(2-chloroethyl)amine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Tris(2-chloroethyl)amine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.