![Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1) structure](/static/products/6875/68757-57-3.webp)
Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1)
TL;DR: Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1) (CAS 68757-57-3) is a chemical compound with molecular formula C16H25ClN2O and molecular weight 296.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[2-(2-cyanoethoxy)ethyl]-diethylazanium chloride
Also Known As: Cyanoethoxyethyldiethylbenzylammonium chloride, Benzenemethanaminium, N-(2-(2-cyanoethoxy)ethyl)-N,N-diethyl-, chloride, Benzyl(2-(2-cyanoethoxy)ethyl)diethylammonium chloride, BENZYL[2-(2-CYANOETHOXY)ETHYL]DIETHYLAMMONIUM CHLORIDE, n-benzyl-2-(2-cyanoethoxy)-n,n-diethylethanaminium chloride
| Molecular Formula | C16H25ClN2O |
|---|---|
| Molecular Weight | 296.17 g/mol |
| LogP | -0.02 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 296.16553 |
| Heavy Atoms | 20 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 68757-57-3 |
|---|---|
| SMILES | CC[N+](CC)(CCOCCC#N)CC1=CC=CC=C1.[Cl-] |
| InChIKey | HVZZFNDRBACREA-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1) (CAS 68757-57-3), with molecular formula C16H25ClN2O and molecular weight 296.17 g/mol. IUPAC: benzyl-[2-(2-cyanoethoxy)ethyl]-diethylazanium chloride.
Chemical Property Profile of Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1)
Property Insights of Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1)
The XLogP value of -0.02 indicates that Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.0 Ų, Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1) has 0 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 Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1)?
The CAS number of Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1) is 68757-57-3.
What is the molecular formula of Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1)?
The molecular formula of Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1) is C16H25ClN2O.
What is the molecular weight of Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1)?
The molecular weight of Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1) is 296.17 g/mol.
Where can I buy Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1)?
You can request a quote for Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanaminium, N-[2-(2-cyanoethoxy)ethyl]-N,N-diethyl-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.