3-chloro-N,N-bis(ethoxymethyl)aniline
TL;DR: 3-chloro-N,N-bis(ethoxymethyl)aniline (CAS 88596-37-6) is a chemical compound with molecular formula C12H18ClNO2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N,N-bis(ethoxymethyl)aniline
Also Known As: 3-chloro-N,N-bis(ethoxymethyl)aniline
| Molecular Formula | C12H18ClNO2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 243.1026 |
| Heavy Atoms | 16 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 88596-37-6 |
|---|---|
| SMILES | CCOCN(COCC)C1=CC(=CC=C1)Cl |
| InChIKey | MCFATLNXFDCPKD-UHFFFAOYSA-N |
Product Overview
3-chloro-N,N-bis(ethoxymethyl)aniline (CAS 88596-37-6), with molecular formula C12H18ClNO2 and molecular weight 243.10 g/mol. IUPAC: 3-chloro-N,N-bis(ethoxymethyl)aniline.
Chemical Property Profile of 3-chloro-N,N-bis(ethoxymethyl)aniline
Property Insights of 3-chloro-N,N-bis(ethoxymethyl)aniline
The XLogP value of 3.3 indicates that 3-chloro-N,N-bis(ethoxymethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, 3-chloro-N,N-bis(ethoxymethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N,N-bis(ethoxymethyl)aniline has 0 hydrogen bond donor(s) and 3 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 3-chloro-N,N-bis(ethoxymethyl)aniline?
The CAS number of 3-chloro-N,N-bis(ethoxymethyl)aniline is 88596-37-6.
What is the molecular formula of 3-chloro-N,N-bis(ethoxymethyl)aniline?
The molecular formula of 3-chloro-N,N-bis(ethoxymethyl)aniline is C12H18ClNO2.
What is the molecular weight of 3-chloro-N,N-bis(ethoxymethyl)aniline?
The molecular weight of 3-chloro-N,N-bis(ethoxymethyl)aniline is 243.10 g/mol.
Where can I buy 3-chloro-N,N-bis(ethoxymethyl)aniline?
You can request a quote for 3-chloro-N,N-bis(ethoxymethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N,N-bis(ethoxymethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N,N-bis(ethoxymethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.