Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride (1:1)
TL;DR: Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride (1:1) (CAS 52018-82-3) is a chemical compound with molecular formula C13H19ClN2O2 and molecular weight 270.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-acetamidophenyl)-2-oxoethyl]-trimethylazanium chloride
Also Known As: (4-Acetamidophenacyl)trimethylammonium chloride, Ammonium, (p-acetamidophenacyl)trimethyl-, chloride, Ammonium,(p-acetamidophenacyl)trimethyl-,chloride, 2-(4-acetamidophenyl)-n,n,n-trimethyl-2-oxoethanaminium chloride, Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride
| Molecular Formula | C13H19ClN2O2 |
|---|---|
| Molecular Weight | 270.11 g/mol |
| LogP | -1.46 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.1135 |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 52018-82-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)C[N+](C)(C)C.[Cl-] |
| InChIKey | SUZHCGMKGSHQOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride (1:1) (CAS 52018-82-3), with molecular formula C13H19ClN2O2 and molecular weight 270.11 g/mol. IUPAC: [2-(4-acetamidophenyl)-2-oxoethyl]-trimethylazanium chloride.
Chemical Property Profile of Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride (1:1)
Property Insights of Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride (1:1)
The XLogP value of -1.46 indicates that Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, 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 46.2 Ų, Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride (1:1) 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 Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride (1:1)?
The CAS number of Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride (1:1) is 52018-82-3.
What is the molecular formula of Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride (1:1)?
The molecular formula of Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride (1:1) is C13H19ClN2O2.
What is the molecular weight of Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride (1:1)?
The molecular weight of Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride (1:1) is 270.11 g/mol.
Where can I buy Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride (1:1)?
You can request a quote for Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, 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 Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanaminium, 4-(acetylamino)-N,N,N-trimethyl-beta-oxo-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.