N-(2-氯乙基)-N-乙基-3-甲基苯胺
TL;DR: N-(2-氯乙基)-N-乙基-3-甲基苯胺 (CAS 22564-43-8) is a chemical compound with molecular formula C11H16ClN and molecular weight 197.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-氯乙基)-N-乙基-3-甲基苯胺
N-(2-chloroethyl)-N-ethyl-3-methylaniline
Also Known As: N-(2-chloroethyl)-N-ethyl-3-methylaniline, Dibutylmaleate, N-Ethyl-N-chloroethyl-3-toluidine, N-Ethyl-N-chloroethy, N-(2-Chloroethyl)-N-ethyl-m-toluidine
| Molecular Formula | C11H16ClN |
|---|---|
| Molecular Weight | 197.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.09712 |
| Heavy Atoms | 13 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 22564-43-8 |
|---|---|
| SMILES | CCN(CCCl)C1=CC=CC(=C1)C |
| InChIKey | DLRPOOIAFCOLII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-氯乙基)-N-乙基-3-甲基苯胺 (CAS 22564-43-8), with molecular formula C11H16ClN and molecular weight 197.10 g/mol. IUPAC: N-(2-chloroethyl)-N-ethyl-3-methylaniline.
Chemical Property Profile of N-(2-氯乙基)-N-乙基-3-甲基苯胺
Property Insights of N-(2-氯乙基)-N-乙基-3-甲基苯胺
The XLogP value of 3.8 indicates that N-(2-氯乙基)-N-乙基-3-甲基苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N-(2-氯乙基)-N-乙基-3-甲基苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-氯乙基)-N-乙基-3-甲基苯胺 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 N-(2-氯乙基)-N-乙基-3-甲基苯胺?
The CAS number of N-(2-氯乙基)-N-乙基-3-甲基苯胺 is 22564-43-8.
What is the molecular formula of N-(2-氯乙基)-N-乙基-3-甲基苯胺?
The molecular formula of N-(2-氯乙基)-N-乙基-3-甲基苯胺 is C11H16ClN.
What is the molecular weight of N-(2-氯乙基)-N-乙基-3-甲基苯胺?
The molecular weight of N-(2-氯乙基)-N-乙基-3-甲基苯胺 is 197.10 g/mol.
Where can I buy N-(2-氯乙基)-N-乙基-3-甲基苯胺?
You can request a quote for N-(2-氯乙基)-N-乙基-3-甲基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-氯乙基)-N-乙基-3-甲基苯胺?
Yes, KEHONG BIO provides custom synthesis services for N-(2-氯乙基)-N-乙基-3-甲基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.