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n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine structure
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n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine

TL;DR: n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine (CAS 108896-78-2) is a chemical compound with molecular formula C16H18Cl2N2 and molecular weight 308.08472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N,N'-bis[(2-chlorophenyl)methyl]ethane-1,2-diamine

Also Known As: Ticlopidine Impurity J, n,n'-bis(2-chlorobenzyl)ethane-1,2-diamine, Ticlopidine EP Impurity J, N,N'-Bis(o-chlorobenzyl)ethylenediamine, N,N'-bis[(2-chlorophenyl)methyl]ethane-1,2-diamine

CAS Number
108896-78-2
Molecular Formula
C16H18Cl2N2
Molecular Weight
308.08472 g/mol
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Technical Specifications

Molecular FormulaC16H18Cl2N2
Molecular Weight308.08472 g/mol
XLogP3.6
Topological Polar Surface Area (TPSA)24.1 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors2
Rotatable Bonds7
Exact Mass308.08472 Da
Heavy Atoms20
Complexity237.0
SMILESC1=CC=C(C(=C1)CNCCNCC2=CC=CC=C2Cl)Cl
InChIKeyULNAUYKDNNUELJ-UHFFFAOYSA-N

Chemical Property Profile of n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine

XLogP
3.6
TPSA (Topological Polar Surface Area)
24.1
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
Rotatable Bonds
7
Heavy Atoms
20
Complexity
237.0
Exact Mass
308.08472
Monoisotopic Mass
308.08472
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine

The XLogP value of 3.6 indicates that n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine has 2 hydrogen bond donor(s) and 2 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,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine?

The CAS number of n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine is 108896-78-2.

What is the molecular formula of n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine?

The molecular formula of n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine is C16H18Cl2N2.

What is the molecular weight of n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine?

The molecular weight of n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine is 308.08472 g/mol.

Where can I buy n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine?

You can request a quote for n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine?

Yes, CoreyChem provides custom synthesis services for n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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