4-Chloro-N-isopropylaniline
TL;DR: 4-Chloro-N-isopropylaniline (CAS 770-40-1) is a chemical compound with molecular formula C9H12ClN and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-propan-2-ylaniline
Also Known As: 4-Chloro-N-isopropylaniline, 4-chloro-N-propan-2-ylaniline, N-Isopropyl-4-chloroaniline, (4-Chlorophenyl)-isopropylamine, 4-chloro-n-(propan-2-yl)aniline
| Molecular Formula | C9H12ClN |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.06583 |
| Heavy Atoms | 11 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 770-40-1 |
|---|---|
| SMILES | CC(C)NC1=CC=C(C=C1)Cl |
| InChIKey | WQCJXUGBPQKJLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-N-isopropylaniline (CAS 770-40-1), with molecular formula C9H12ClN and molecular weight 169.07 g/mol. IUPAC: 4-chloro-N-propan-2-ylaniline.
Chemical Property Profile of 4-Chloro-N-isopropylaniline
Property Insights of 4-Chloro-N-isopropylaniline
The XLogP value of 3.3 indicates that 4-Chloro-N-isopropylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 4-Chloro-N-isopropylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-N-isopropylaniline 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 4-Chloro-N-isopropylaniline?
The CAS number of 4-Chloro-N-isopropylaniline is 770-40-1.
What is the molecular formula of 4-Chloro-N-isopropylaniline?
The molecular formula of 4-Chloro-N-isopropylaniline is C9H12ClN.
What is the molecular weight of 4-Chloro-N-isopropylaniline?
The molecular weight of 4-Chloro-N-isopropylaniline is 169.07 g/mol.
Where can I buy 4-Chloro-N-isopropylaniline?
You can request a quote for 4-Chloro-N-isopropylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-isopropylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-isopropylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.