3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride
TL;DR: 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride (CAS 1049721-27-8) is a chemical compound with molecular formula C9H13Cl2NO and molecular weight 221.03741 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[1-chloro-2-(methylamino)ethyl]phenol;hydrochloride
Also Known As: NIOSH/SK4957000, 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride, 3-[1-chloro-2-(methylamino)ethyl]phenol hydrochloride, 3-[1-chloro-2-(methylamino)ethyl]phenol;hydrochloride, Phenol, 3-(1-chloro-2-(methylamino)ethyl)-, hydrochloride
Technical Specifications
| Molecular Formula | C9H13Cl2NO |
| Molecular Weight | 221.03741 g/mol |
| XLogP | 2.3133 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.03741 Da |
| Heavy Atoms | 13 |
| Complexity | 132.0 |
| SMILES | CNCC(C1=CC(=CC=C1)O)Cl.Cl |
| InChIKey | VPZRMCNLQYXOAR-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride
Property Insights of 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride
The XLogP value of 2.3133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride has 3 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 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride?
The CAS number of 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride is 1049721-27-8.
What is the molecular formula of 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride?
The molecular formula of 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride is C9H13Cl2NO.
What is the molecular weight of 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride?
The molecular weight of 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride is 221.03741 g/mol.
Where can I buy 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride?
You can request a quote for 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride?
Yes, CoreyChem provides custom synthesis services for 3-(1-Chloro-2-(methylamino)ethyl)phenol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.