3,4-Methylenedioxyphenyl-1-ethanamine
TL;DR: 3,4-Methylenedioxyphenyl-1-ethanamine (CAS 210488-54-3) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)ethanamine
Also Known As: 1-(1,3-benzodioxol-5-yl)ethanamine, Mdm1EA, 1-benzo[1,3]dioxol-5-yl-ethylamine, 1-(2H-1,3-benzodioxol-5-yl)ethan-1-amine, 3,4-Methylenedioxyphenyl-1-ethanamine
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 210488-54-3 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OCO2)N |
| InChIKey | ZWBXYAKHFVPCBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Methylenedioxyphenyl-1-ethanamine (CAS 210488-54-3), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)ethanamine.
Chemical Property Profile of 3,4-Methylenedioxyphenyl-1-ethanamine
Property Insights of 3,4-Methylenedioxyphenyl-1-ethanamine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Methylenedioxyphenyl-1-ethanamine. With a topological polar surface area (TPSA) of 44.5 Ų, 3,4-Methylenedioxyphenyl-1-ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Methylenedioxyphenyl-1-ethanamine has 1 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 3,4-Methylenedioxyphenyl-1-ethanamine?
The CAS number of 3,4-Methylenedioxyphenyl-1-ethanamine is 210488-54-3.
What is the molecular formula of 3,4-Methylenedioxyphenyl-1-ethanamine?
The molecular formula of 3,4-Methylenedioxyphenyl-1-ethanamine is C9H11NO2.
What is the molecular weight of 3,4-Methylenedioxyphenyl-1-ethanamine?
The molecular weight of 3,4-Methylenedioxyphenyl-1-ethanamine is 165.08 g/mol.
Where can I buy 3,4-Methylenedioxyphenyl-1-ethanamine?
You can request a quote for 3,4-Methylenedioxyphenyl-1-ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Methylenedioxyphenyl-1-ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Methylenedioxyphenyl-1-ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.