![2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride structure](/static/products/7178/71786-67-9.webp)
2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride
TL;DR: 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride (CAS 71786-67-9) is a chemical compound with molecular formula C16H18ClNO2 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride
Also Known As: 2-(Benzyl(methyl)amino)-1-(3-hydroxyphenyl)ethanone hydrochloride, Benzyl(3-hydroxyphenacyl)methylammonium chloride, Benzylphenylephrone hydrochloride, Pyridine methanesulfonate, Phenylephrine Impurity E
| Molecular Formula | C16H18ClNO2 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 3.1287 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.1026 |
| Heavy Atoms | 20 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 71786-67-9 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)CC(=O)C2=CC(=CC=C2)O.Cl |
| InChIKey | QGHUDAOMXLLADV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride (CAS 71786-67-9), with molecular formula C16H18ClNO2 and molecular weight 291.10 g/mol. IUPAC: 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride.
Chemical Property Profile of 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride
Property Insights of 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride
The XLogP value of 3.1287 indicates that 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride has 2 hydrogen bond donor(s) and 3 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-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride?
The CAS number of 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is 71786-67-9.
What is the molecular formula of 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride?
The molecular formula of 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is C16H18ClNO2.
What is the molecular weight of 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride?
The molecular weight of 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is 291.10 g/mol.
Where can I buy 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride?
You can request a quote for 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.