4,4'-Ethylenedianiline
TL;DR: 4,4'-Ethylenedianiline (CAS 621-95-4) is a chemical compound with molecular formula C14H16N2 and molecular weight 212.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-aminophenyl)ethyl]aniline
Also Known As: 4,4'-Ethylenedianiline, 4,4'-Diaminobibenzyl, 4,4'-Diaminodibenzyl, 4,4'-(ethane-1,2-diyl)dianiline, 4-[2-(4-aminophenyl)ethyl]aniline
| Molecular Formula | C14H16N2 |
|---|---|
| Molecular Weight | 212.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.13135 |
| Heavy Atoms | 16 |
| Complexity | 167.0 |
| Solubility | 22 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 621-95-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC2=CC=C(C=C2)N)N |
| InChIKey | UHNUHZHQLCGZDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Ethylenedianiline (CAS 621-95-4), with molecular formula C14H16N2 and molecular weight 212.13 g/mol. IUPAC: 4-[2-(4-aminophenyl)ethyl]aniline.
Chemical Property Profile of 4,4'-Ethylenedianiline
Property Insights of 4,4'-Ethylenedianiline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Ethylenedianiline. With a topological polar surface area (TPSA) of 52.0 Ų, 4,4'-Ethylenedianiline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Ethylenedianiline 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
Frequently Asked Questions
What is the CAS number of 4,4'-Ethylenedianiline?
The CAS number of 4,4'-Ethylenedianiline is 621-95-4.
What is the molecular formula of 4,4'-Ethylenedianiline?
The molecular formula of 4,4'-Ethylenedianiline is C14H16N2.
What is the molecular weight of 4,4'-Ethylenedianiline?
The molecular weight of 4,4'-Ethylenedianiline is 212.13 g/mol.
Where can I buy 4,4'-Ethylenedianiline?
You can request a quote for 4,4'-Ethylenedianiline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Ethylenedianiline?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Ethylenedianiline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.