2-(3-Chloropropoxy)aniline
TL;DR: 2-(3-Chloropropoxy)aniline (CAS 151719-71-0) is a chemical compound with molecular formula C9H12ClNO and molecular weight 185.06075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-chloropropoxy)aniline
Also Known As: 2-(3-chloropropoxy)aniline, 2-(3-Chloro-propoxy)aniline, 2-(3-chloropropoxy)-aniline, 2-(3 chloropropoxy) aniline, 2-(3-chloropropoxy) aniline
Technical Specifications
| Molecular Formula | C9H12ClNO |
| Molecular Weight | 185.06075 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 185.06075 Da |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
| SMILES | C1=CC=C(C(=C1)N)OCCCCl |
| InChIKey | VUMBHSVJQOBHGX-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Chloropropoxy)aniline
Property Insights of 2-(3-Chloropropoxy)aniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Chloropropoxy)aniline. With a topological polar surface area (TPSA) of 35.3 Ų, 2-(3-Chloropropoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chloropropoxy)aniline has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(3-Chloropropoxy)aniline?
The CAS number of 2-(3-Chloropropoxy)aniline is 151719-71-0.
What is the molecular formula of 2-(3-Chloropropoxy)aniline?
The molecular formula of 2-(3-Chloropropoxy)aniline is C9H12ClNO.
What is the molecular weight of 2-(3-Chloropropoxy)aniline?
The molecular weight of 2-(3-Chloropropoxy)aniline is 185.06075 g/mol.
Where can I buy 2-(3-Chloropropoxy)aniline?
You can request a quote for 2-(3-Chloropropoxy)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Chloropropoxy)aniline?
Yes, CoreyChem provides custom synthesis services for 2-(3-Chloropropoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.