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Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride
TL;DR: Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride (CAS 52400-55-2) is a chemical compound with molecular formula C12H18ClNO2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride
Also Known As: 2-(2-(Ethylamino)ethyl)-2-methyl-1,3-benzodioxole hydrochloride, 1,3-Benzodioxole-2-ethanamine, N-ethyl-2-methyl-, hydrochloride, 1,3-BENZODIOXOLE, 2-(2-(ETHYLAMINO)ETHYL)-2-METHYL-, HYDROCHLORIDE, ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride
| Molecular Formula | C12H18ClNO2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | -1.85 |
| Topological Polar Surface Area | 35.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.1026 |
| Heavy Atoms | 16 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 52400-55-2 |
|---|---|
| SMILES | CC[NH2+]CCC1(OC2=CC=CC=C2O1)C.[Cl-] |
| InChIKey | HSGZSWGTFGUNGV-UHFFFAOYSA-N |
Product Overview
Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride (CAS 52400-55-2), with molecular formula C12H18ClNO2 and molecular weight 243.10 g/mol. IUPAC: ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride.
Chemical Property Profile of Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride
Property Insights of Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride
The XLogP value of -1.85 indicates that Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.1 Ų, Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride 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 Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride?
The CAS number of Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride is 52400-55-2.
What is the molecular formula of Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride?
The molecular formula of Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride is C12H18ClNO2.
What is the molecular weight of Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride?
The molecular weight of Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride is 243.10 g/mol.
Where can I buy Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride?
You can request a quote for Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride?
Yes, KEHONG BIO provides custom synthesis services for Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.