1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?)
TL;DR: 1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?) (CAS 68133-57-3) is a chemical compound with molecular formula C11H21N3O3S and molecular weight 275.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-aminoethyl)ethane-1,2-diamine;4-methylbenzenesulfonic acid
Also Known As: p-Toluene sulfonic acid diethylene triamine salt, 1,2-Ethanediamine, N-(2-aminoethyl)-, 4-methylbenzenesulfonate, N-aminoethylethylenediamine4-methylbenzenesulphonate, N-Aminoethylethylenediamine 4-methylbenzenesulphonate, n-(2-aminoethyl)ethane-1,2-diamine 4-methylbenzenesulfonate(1:1)
| Molecular Formula | C11H21N3O3S |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | -0.26 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.13037 |
| Heavy Atoms | 18 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 68133-57-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C(CNCCN)N |
| InChIKey | XANFTJNZNYVTRE-UHFFFAOYSA-N |
Product Overview
1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?) (CAS 68133-57-3), with molecular formula C11H21N3O3S and molecular weight 275.13 g/mol. IUPAC: N'-(2-aminoethyl)ethane-1,2-diamine;4-methylbenzenesulfonic acid.
Chemical Property Profile of 1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?)
Property Insights of 1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?)
The XLogP value of -0.26 indicates that 1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?). Following Lipinski's Rule of Five, 1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?) has 4 hydrogen bond donor(s) and 6 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 1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?)?
The CAS number of 1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?) is 68133-57-3.
What is the molecular formula of 1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?)?
The molecular formula of 1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?) is C11H21N3O3S.
What is the molecular weight of 1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?)?
The molecular weight of 1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?) is 275.13 g/mol.
Where can I buy 1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?)?
You can request a quote for 1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediamine, N1-(2-aminoethyl)-, 4-methylbenzenesulfonate (1:?) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.