4-Chloro-N,N-diethylaniline
TL;DR: 4-Chloro-N,N-diethylaniline (CAS 2873-89-4) is a chemical compound with molecular formula C10H14ClN and molecular weight 183.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N,N-diethylaniline
Also Known As: 4-Chloro-N,N-diethylaniline, p-Chloro-N,N-diethylaniline, N-(4-chlorophenyl)-N,N-diethylamine, (4-chlorophenyl)diethylamine, Benzenamine, 4-chloro-N,N-diethyl-
| Molecular Formula | C10H14ClN |
|---|---|
| Molecular Weight | 183.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.08148 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 2873-89-4 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)Cl |
| InChIKey | LVIXJLIXKMZERD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-N,N-diethylaniline (CAS 2873-89-4), with molecular formula C10H14ClN and molecular weight 183.08 g/mol. IUPAC: 4-chloro-N,N-diethylaniline.
Chemical Property Profile of 4-Chloro-N,N-diethylaniline
Property Insights of 4-Chloro-N,N-diethylaniline
The XLogP value of 3.9 indicates that 4-Chloro-N,N-diethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 4-Chloro-N,N-diethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-N,N-diethylaniline 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
Frequently Asked Questions
What is the CAS number of 4-Chloro-N,N-diethylaniline?
The CAS number of 4-Chloro-N,N-diethylaniline is 2873-89-4.
What is the molecular formula of 4-Chloro-N,N-diethylaniline?
The molecular formula of 4-Chloro-N,N-diethylaniline is C10H14ClN.
What is the molecular weight of 4-Chloro-N,N-diethylaniline?
The molecular weight of 4-Chloro-N,N-diethylaniline is 183.08 g/mol.
Where can I buy 4-Chloro-N,N-diethylaniline?
You can request a quote for 4-Chloro-N,N-diethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N,N-diethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N,N-diethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.