Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1)
TL;DR: Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1) (CAS 63150-14-1) is a chemical compound with molecular formula C11H19NO4S and molecular weight 261.1035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(dimethylamino)ethanol;4-methylbenzenesulfonic acid
Also Known As: (Hydroxyethyl)dimethylammonium toluene-p-sulphonate, Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (salt), 2-(dimethylamino)ethanol,4-methylbenzenesulfonic acid, 2-(dimethylamino)ethanol 4-methylbenzenesulfonate(1:1), Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1)
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H19NO4S |
| Molecular Weight | 261.1035 g/mol |
| XLogP | 0.78 |
| Topological Polar Surface Area (TPSA) | 86.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.1035 Da |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CCO |
| InChIKey | QLNIJTOWLWFWHS-UHFFFAOYSA-N |
Chemical Property Profile of Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1)
Property Insights of Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1)
The XLogP value of 0.78 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1). The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1) has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1)?
The CAS number of Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1) is 63150-14-1.
What is the molecular formula of Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1)?
The molecular formula of Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1) is C11H19NO4S.
What is the molecular weight of Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1)?
The molecular weight of Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1) is 261.1035 g/mol.
Where can I buy Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1)?
You can request a quote for Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1)?
Yes, CoreyChem provides custom synthesis services for Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.