4-(2-Chloroethyl)aniline
TL;DR: 4-(2-Chloroethyl)aniline (CAS 52273-60-6) is a chemical compound with molecular formula C8H10ClN and molecular weight 155.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroethyl)aniline
Also Known As: 4-(2-chloroethyl)aniline, 2-(4-aminophenyl)ethyl chloride
| Molecular Formula | C8H10ClN |
|---|---|
| Molecular Weight | 155.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.05017 |
| Heavy Atoms | 10 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 52273-60-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCl)N |
| InChIKey | DIDOBGBVBCPOEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Chloroethyl)aniline (CAS 52273-60-6), with molecular formula C8H10ClN and molecular weight 155.05 g/mol. IUPAC: 4-(2-chloroethyl)aniline.
Chemical Property Profile of 4-(2-Chloroethyl)aniline
Property Insights of 4-(2-Chloroethyl)aniline
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Chloroethyl)aniline. With a topological polar surface area (TPSA) of 26.0 Ų, 4-(2-Chloroethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Chloroethyl)aniline 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 4-(2-Chloroethyl)aniline?
The CAS number of 4-(2-Chloroethyl)aniline is 52273-60-6.
What is the molecular formula of 4-(2-Chloroethyl)aniline?
The molecular formula of 4-(2-Chloroethyl)aniline is C8H10ClN.
What is the molecular weight of 4-(2-Chloroethyl)aniline?
The molecular weight of 4-(2-Chloroethyl)aniline is 155.05 g/mol.
Where can I buy 4-(2-Chloroethyl)aniline?
You can request a quote for 4-(2-Chloroethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Chloroethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chloroethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.