N-(2-Chloroethyl)dibenzylamine
TL;DR: N-(2-Chloroethyl)dibenzylamine (CAS 51-50-3) is a chemical compound with molecular formula C16H18ClN and molecular weight 259.11276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dibenzyl-2-chloroethanamine
Also Known As: Sympatholytin, Dibenzylchlorethamine, Dibenzyl chlorethylamine, Dibenzylchlorethylamine, N-(2-Chloroethyl)dibenzylamine
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H18ClN |
| Molecular Weight | 259.11276 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.11276 Da |
| Heavy Atoms | 18 |
| Complexity | 187.0 |
| SMILES | C1=CC=C(C=C1)CN(CCCl)CC2=CC=CC=C2 |
| InChIKey | GSLWSSUWNCJILM-UHFFFAOYSA-N |
Product Description
Applications: N-(2-Chloroethyl)dibenzylamine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies N-(2-Chloroethyl)dibenzylamine (CAS 51-50-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
N-(2-Chloroethyl)dibenzylamine is a pharmaceutical intermediate identified by CAS number 51-50-3 and the molecular formula C16H18ClN and a molecular weight of 259.11 g/mol. It is also known as Sympatholytin and Dibenzylchlorethamine.
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 N-(2-Chloroethyl)dibenzylamine
Property Insights of N-(2-Chloroethyl)dibenzylamine
The XLogP value of 3.8 indicates that N-(2-Chloroethyl)dibenzylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N-(2-Chloroethyl)dibenzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Chloroethyl)dibenzylamine 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 N-(2-Chloroethyl)dibenzylamine?
The CAS number of N-(2-Chloroethyl)dibenzylamine is 51-50-3.
What is the molecular formula of N-(2-Chloroethyl)dibenzylamine?
The molecular formula of N-(2-Chloroethyl)dibenzylamine is C16H18ClN.
What is the molecular weight of N-(2-Chloroethyl)dibenzylamine?
The molecular weight of N-(2-Chloroethyl)dibenzylamine is 259.11276 g/mol.
What are the applications of N-(2-Chloroethyl)dibenzylamine?
N-(2-Chloroethyl)dibenzylamine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy N-(2-Chloroethyl)dibenzylamine?
You can request a quote for N-(2-Chloroethyl)dibenzylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-Chloroethyl)dibenzylamine?
Yes, CoreyChem provides custom synthesis services for N-(2-Chloroethyl)dibenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.