N-butyl-2-chloroaniline
TL;DR: N-butyl-2-chloroaniline (CAS 939-61-7) 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-butyl-2-chloroaniline
Also Known As: N-butyl-2-chloroaniline, N-n-Butyl-2-chloroaniline, N-butyl-2-chloro-aniline, N-butyl-2-chlorobenzenamine, Benzenamine,N-butyl-2-chloro-
| 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 | 4 |
| Exact Mass | 183.08148 |
| Heavy Atoms | 12 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 939-61-7 |
|---|---|
| SMILES | CCCCNC1=CC=CC=C1Cl |
| InChIKey | LJRWSALKDLMPRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-butyl-2-chloroaniline (CAS 939-61-7), with molecular formula C10H14ClN and molecular weight 183.08 g/mol. IUPAC: N-butyl-2-chloroaniline.
Chemical Property Profile of N-butyl-2-chloroaniline
Property Insights of N-butyl-2-chloroaniline
The XLogP value of 3.5 indicates that N-butyl-2-chloroaniline 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-butyl-2-chloroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-2-chloroaniline 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-butyl-2-chloroaniline?
The CAS number of N-butyl-2-chloroaniline is 939-61-7.
What is the molecular formula of N-butyl-2-chloroaniline?
The molecular formula of N-butyl-2-chloroaniline is C10H14ClN.
What is the molecular weight of N-butyl-2-chloroaniline?
The molecular weight of N-butyl-2-chloroaniline is 183.08 g/mol.
Where can I buy N-butyl-2-chloroaniline?
You can request a quote for N-butyl-2-chloroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-2-chloroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2-chloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.