1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1)
TL;DR: 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1) (CAS 10026-99-0) is a chemical compound with molecular formula C13H23NO4S and molecular weight 289.13477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(dimethylamino)-2-methylpropan-1-ol;4-methylbenzenesulfonic acid
Also Known As: 2-Dimethylamino-2-methylpropanol p-toluenesulfonate, 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (salt), 2-Dimethylamino-2-methyl-1-propanol, p-toluenesulfonate (salt), (2-Hydroxy-1,1-dimethylethyl)dimethylammonium toluene-p-sulphonate, 1-hydroxy-n,n,2-trimethylpropan-2-aminium 4-methylbenzenesulfonate
Technical Specifications
| Molecular Formula | C13H23NO4S |
| Molecular Weight | 289.13477 g/mol |
| XLogP | 1.56 |
| Topological Polar Surface Area (TPSA) | 86.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.13477 Da |
| Heavy Atoms | 19 |
| Complexity | 275.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(CO)N(C)C |
| InChIKey | JZFUBSFZOGZENZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1)
Property Insights of 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1)
The XLogP value of 1.56 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1). The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, 1-Propanol, 2-(dimethylamino)-2-methyl-, 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 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1)?
The CAS number of 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1) is 10026-99-0.
What is the molecular formula of 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1)?
The molecular formula of 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1) is C13H23NO4S.
What is the molecular weight of 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1)?
The molecular weight of 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1) is 289.13477 g/mol.
Where can I buy 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1)?
You can request a quote for 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1)?
Yes, CoreyChem provides custom synthesis services for 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.