N-Chloro-2,6-diethylbenzenamine
TL;DR: N-Chloro-2,6-diethylbenzenamine (CAS 71477-82-2) 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.
N-chloro-2,6-diethylaniline
Also Known As: N-chloro-2,6-diethylaniline, 2,6-Diethylaniline hydrochloride, N-Chloro-2,6-diethylbenzenamine, Benzenamine, N-chloro-2,6-diethyl-, N-(2,6-Diethylphenyl)hypochlorous amide
| Molecular Formula | C10H14ClN |
|---|---|
| Molecular Weight | 183.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.08148 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 71477-82-2 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NCl |
| InChIKey | ITDHHRGCSPXWJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Chloro-2,6-diethylbenzenamine (CAS 71477-82-2), with molecular formula C10H14ClN and molecular weight 183.08 g/mol. IUPAC: N-chloro-2,6-diethylaniline.
Chemical Property Profile of N-Chloro-2,6-diethylbenzenamine
Property Insights of N-Chloro-2,6-diethylbenzenamine
The XLogP value of 3.5 indicates that N-Chloro-2,6-diethylbenzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, N-Chloro-2,6-diethylbenzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Chloro-2,6-diethylbenzenamine 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 N-Chloro-2,6-diethylbenzenamine?
The CAS number of N-Chloro-2,6-diethylbenzenamine is 71477-82-2.
What is the molecular formula of N-Chloro-2,6-diethylbenzenamine?
The molecular formula of N-Chloro-2,6-diethylbenzenamine is C10H14ClN.
What is the molecular weight of N-Chloro-2,6-diethylbenzenamine?
The molecular weight of N-Chloro-2,6-diethylbenzenamine is 183.08 g/mol.
Where can I buy N-Chloro-2,6-diethylbenzenamine?
You can request a quote for N-Chloro-2,6-diethylbenzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Chloro-2,6-diethylbenzenamine?
Yes, KEHONG BIO provides custom synthesis services for N-Chloro-2,6-diethylbenzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.