N-Benzylnormechlorethamine
TL;DR: N-Benzylnormechlorethamine (CAS 55-51-6) is a chemical compound with molecular formula C11H15Cl2N and molecular weight 231.05815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
Also Known As: N,N-Bis(2-chloroethyl)benzenemethanamine, N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine, N-Benzylnormechlorethamine, Bis(2-chloroethyl)benzylamine, Benzyl nor-mechlorethamine
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H15Cl2N |
| Molecular Weight | 231.05815 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 231.05815 Da |
| Heavy Atoms | 14 |
| Complexity | 129.0 |
| SMILES | C1=CC=C(C=C1)CN(CCCl)CCCl |
| InChIKey | VLWJKVNMRMHPCC-UHFFFAOYSA-N |
Product Description
Applications: N-Benzylnormechlorethamine 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 N-Benzylnormechlorethamine (CAS 55-51-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, N-Benzylnormechlorethamine (CAS 55-51-6) has the molecular formula C11H15Cl2N and a molecular weight of 231.06 g/mol. It is also known as N,N-Bis(2-chloroethyl)benzenemethanamine and N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine.
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-Benzylnormechlorethamine
Property Insights of N-Benzylnormechlorethamine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzylnormechlorethamine. With a topological polar surface area (TPSA) of 3.2 Ų, N-Benzylnormechlorethamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzylnormechlorethamine 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-Benzylnormechlorethamine?
The CAS number of N-Benzylnormechlorethamine is 55-51-6.
What is the molecular formula of N-Benzylnormechlorethamine?
The molecular formula of N-Benzylnormechlorethamine is C11H15Cl2N.
What is the molecular weight of N-Benzylnormechlorethamine?
The molecular weight of N-Benzylnormechlorethamine is 231.05815 g/mol.
What are the applications of N-Benzylnormechlorethamine?
N-Benzylnormechlorethamine 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 N-Benzylnormechlorethamine...
Where can I buy N-Benzylnormechlorethamine?
You can request a quote for N-Benzylnormechlorethamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Benzylnormechlorethamine?
Yes, CoreyChem provides custom synthesis services for N-Benzylnormechlorethamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.