2-((4-Bromobenzyl)amino)ethanol
TL;DR: 2-((4-Bromobenzyl)amino)ethanol (CAS 774191-64-9) is a chemical compound with molecular formula C9H12BrNO and molecular weight 229.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)methylamino]ethanol
Also Known As: 2-((4-Bromobenzyl)amino)ethanol, 2-[(4-bromobenzyl)amino]ethanol, 2-(4-Bromo-benzylamino)-ethanol, 2-[(4-bromophenyl)methylamino]ethanol, 2-((4-bromobenzyl)amino)ethan-1-ol
| Molecular Formula | C9H12BrNO |
|---|---|
| Molecular Weight | 229.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.01022 |
| Heavy Atoms | 12 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 774191-64-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CNCCO)Br |
| InChIKey | WXNPLUJAXBAUFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4-Bromobenzyl)amino)ethanol (CAS 774191-64-9), with molecular formula C9H12BrNO and molecular weight 229.01 g/mol. IUPAC: 2-[(4-bromophenyl)methylamino]ethanol.
Chemical Property Profile of 2-((4-Bromobenzyl)amino)ethanol
Property Insights of 2-((4-Bromobenzyl)amino)ethanol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Bromobenzyl)amino)ethanol. With a topological polar surface area (TPSA) of 32.3 Ų, 2-((4-Bromobenzyl)amino)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Bromobenzyl)amino)ethanol has 2 hydrogen bond donor(s) and 2 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 2-((4-Bromobenzyl)amino)ethanol?
The CAS number of 2-((4-Bromobenzyl)amino)ethanol is 774191-64-9.
What is the molecular formula of 2-((4-Bromobenzyl)amino)ethanol?
The molecular formula of 2-((4-Bromobenzyl)amino)ethanol is C9H12BrNO.
What is the molecular weight of 2-((4-Bromobenzyl)amino)ethanol?
The molecular weight of 2-((4-Bromobenzyl)amino)ethanol is 229.01 g/mol.
Where can I buy 2-((4-Bromobenzyl)amino)ethanol?
You can request a quote for 2-((4-Bromobenzyl)amino)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Bromobenzyl)amino)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Bromobenzyl)amino)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.