Ethanamine, 4-methylbenzenesulfonate
TL;DR: Ethanamine, 4-methylbenzenesulfonate (CAS 102520-37-6) is a chemical compound with molecular formula C9H15NO3S and molecular weight 217.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethanamine;4-methylbenzenesulfonic acid
Also Known As: NCIOpen2_009532, Ethanamine, 4-methylbenzenesulfonate, NCIOpen2_007798, Ethanamine,4-methylbenzenesulfonate, ethanamine,4-methylbenzenesulfonic acid
Technical Specifications
| Molecular Formula | C9H15NO3S |
| Molecular Weight | 217.07727 g/mol |
| XLogP | 1.20672 |
| Topological Polar Surface Area (TPSA) | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.07727 Da |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
| SMILES | CCN.CC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | SPWQZXFBGZCHIU-UHFFFAOYSA-N |
Chemical Property Profile of Ethanamine, 4-methylbenzenesulfonate
Property Insights of Ethanamine, 4-methylbenzenesulfonate
The XLogP value of 1.20672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanamine, 4-methylbenzenesulfonate. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanamine, 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, Ethanamine, 4-methylbenzenesulfonate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethanamine, 4-methylbenzenesulfonate?
The CAS number of Ethanamine, 4-methylbenzenesulfonate is 102520-37-6.
What is the molecular formula of Ethanamine, 4-methylbenzenesulfonate?
The molecular formula of Ethanamine, 4-methylbenzenesulfonate is C9H15NO3S.
What is the molecular weight of Ethanamine, 4-methylbenzenesulfonate?
The molecular weight of Ethanamine, 4-methylbenzenesulfonate is 217.07727 g/mol.
Where can I buy Ethanamine, 4-methylbenzenesulfonate?
You can request a quote for Ethanamine, 4-methylbenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanamine, 4-methylbenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for Ethanamine, 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.