2-Chloro-N-ethylaniline
TL;DR: 2-Chloro-N-ethylaniline (CAS 13519-74-9) 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.
2-chloro-N-ethylaniline
Also Known As: 2-Chloro-N-ethylaniline, 2-Chloro-N-ethylbenzenamine, Benzenamine, 2-chloro-N-ethyl-, o-Chloro-N-ethylaniline, Aniline, o-chloro-N-ethyl-
| Molecular Formula | C8H10ClN |
|---|---|
| Molecular Weight | 155.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.05017 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 13519-74-9 |
|---|---|
| SMILES | CCNC1=CC=CC=C1Cl |
| InChIKey | OMQUELHMHMORKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-N-ethylaniline (CAS 13519-74-9), with molecular formula C8H10ClN and molecular weight 155.05 g/mol. IUPAC: 2-chloro-N-ethylaniline.
Chemical Property Profile of 2-Chloro-N-ethylaniline
Property Insights of 2-Chloro-N-ethylaniline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-N-ethylaniline. With a topological polar surface area (TPSA) of 12.0 Ų, 2-Chloro-N-ethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-N-ethylaniline 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 2-Chloro-N-ethylaniline?
The CAS number of 2-Chloro-N-ethylaniline is 13519-74-9.
What is the molecular formula of 2-Chloro-N-ethylaniline?
The molecular formula of 2-Chloro-N-ethylaniline is C8H10ClN.
What is the molecular weight of 2-Chloro-N-ethylaniline?
The molecular weight of 2-Chloro-N-ethylaniline is 155.05 g/mol.
Where can I buy 2-Chloro-N-ethylaniline?
You can request a quote for 2-Chloro-N-ethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-N-ethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N-ethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.