N-butyl-N-(2-chloroethyl)aniline
TL;DR: N-butyl-N-(2-chloroethyl)aniline (CAS 53817-39-3) is a chemical compound with molecular formula C12H18ClN and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N-(2-chloroethyl)aniline
Also Known As: N-Butyl-N-(2-chloroethyl)aniline, N-Butyl-N-(2-chloroethyl)benzenamine, Benzenamine, N-butyl-N-(2-chloroethyl)-, N-Butyl-N-(2-chloroethyl)aminobenzene, Benzenamine,N-butyl-N-(2-chloroethyl)-
| Molecular Formula | C12H18ClN |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 211.11278 |
| Heavy Atoms | 14 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 53817-39-3 |
|---|---|
| SMILES | CCCCN(CCCl)C1=CC=CC=C1 |
| InChIKey | NBTVRDMLLMEWOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-butyl-N-(2-chloroethyl)aniline (CAS 53817-39-3), with molecular formula C12H18ClN and molecular weight 211.11 g/mol. IUPAC: N-butyl-N-(2-chloroethyl)aniline.
Chemical Property Profile of N-butyl-N-(2-chloroethyl)aniline
Property Insights of N-butyl-N-(2-chloroethyl)aniline
The XLogP value of 3.6 indicates that N-butyl-N-(2-chloroethyl)aniline 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-butyl-N-(2-chloroethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-N-(2-chloroethyl)aniline 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-butyl-N-(2-chloroethyl)aniline?
The CAS number of N-butyl-N-(2-chloroethyl)aniline is 53817-39-3.
What is the molecular formula of N-butyl-N-(2-chloroethyl)aniline?
The molecular formula of N-butyl-N-(2-chloroethyl)aniline is C12H18ClN.
What is the molecular weight of N-butyl-N-(2-chloroethyl)aniline?
The molecular weight of N-butyl-N-(2-chloroethyl)aniline is 211.11 g/mol.
Where can I buy N-butyl-N-(2-chloroethyl)aniline?
You can request a quote for N-butyl-N-(2-chloroethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-N-(2-chloroethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-N-(2-chloroethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.