Benzeneethanamine, 3-methoxy-, hydrochloride (1:1)
TL;DR: Benzeneethanamine, 3-methoxy-, hydrochloride (1:1) (CAS 2039-54-5) is a chemical compound with molecular formula C9H14ClNO and molecular weight 187.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methoxyphenyl)ethanamine;hydrochloride
Also Known As: 3-Methoxyphenethylamine HCl, 3-Methoxyphenylethylamine HCl, 2-(3-methoxyphenyl)ethanamine hydrochloride, 3-Methoxyphenylethylamine hydrochloride, 3-Methoxyphenethylamine hydrochloride
| Molecular Formula | C9H14ClNO |
|---|---|
| Molecular Weight | 187.08 g/mol |
| LogP | 1.6182 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.07639 |
| Heavy Atoms | 12 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 2039-54-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CCN.Cl |
| InChIKey | KDRBQDYHPKRFGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneethanamine, 3-methoxy-, hydrochloride (1:1) (CAS 2039-54-5), with molecular formula C9H14ClNO and molecular weight 187.08 g/mol. IUPAC: 2-(3-methoxyphenyl)ethanamine;hydrochloride.
Chemical Property Profile of Benzeneethanamine, 3-methoxy-, hydrochloride (1:1)
Property Insights of Benzeneethanamine, 3-methoxy-, hydrochloride (1:1)
The XLogP value of 1.6182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanamine, 3-methoxy-, hydrochloride (1:1). With a topological polar surface area (TPSA) of 35.3 Ų, Benzeneethanamine, 3-methoxy-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanamine, 3-methoxy-, hydrochloride (1:1) 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 Benzeneethanamine, 3-methoxy-, hydrochloride (1:1)?
The CAS number of Benzeneethanamine, 3-methoxy-, hydrochloride (1:1) is 2039-54-5.
What is the molecular formula of Benzeneethanamine, 3-methoxy-, hydrochloride (1:1)?
The molecular formula of Benzeneethanamine, 3-methoxy-, hydrochloride (1:1) is C9H14ClNO.
What is the molecular weight of Benzeneethanamine, 3-methoxy-, hydrochloride (1:1)?
The molecular weight of Benzeneethanamine, 3-methoxy-, hydrochloride (1:1) is 187.08 g/mol.
Where can I buy Benzeneethanamine, 3-methoxy-, hydrochloride (1:1)?
You can request a quote for Benzeneethanamine, 3-methoxy-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanamine, 3-methoxy-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanamine, 3-methoxy-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.