3-Amino-alpha-(methylamino)toluene-4-sulphonic acid
TL;DR: 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid (CAS 19659-80-4) is a chemical compound with molecular formula C8H12N2O3S and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(methylaminomethyl)benzenesulfonic acid
Also Known As: 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid, 2-amino-4-(methylaminomethyl)benzenesulfonic acid, 2-amino-4-[(methylamino)methyl]benzenesulfonic acid, 3-Amino-alpha-(methylamino)toluene-4-sulfonic acid, 2-amino-4-[(methylamino)methyl]benzene-1-sulfonic acid
| Molecular Formula | C8H12N2O3S |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.05687 |
| Heavy Atoms | 14 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 19659-80-4 |
|---|---|
| SMILES | CNCC1=CC(=C(C=C1)S(=O)(=O)O)N |
| InChIKey | RCSKWERUNIWHAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-alpha-(methylamino)toluene-4-sulphonic acid (CAS 19659-80-4), with molecular formula C8H12N2O3S and molecular weight 216.06 g/mol. IUPAC: 2-amino-4-(methylaminomethyl)benzenesulfonic acid.
Chemical Property Profile of 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid
Property Insights of 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid
The XLogP value of -2.4 indicates that 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid. Following Lipinski's Rule of Five, 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid has 3 hydrogen bond donor(s) and 5 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 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid?
The CAS number of 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid is 19659-80-4.
What is the molecular formula of 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid?
The molecular formula of 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid is C8H12N2O3S.
What is the molecular weight of 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid?
The molecular weight of 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid is 216.06 g/mol.
Where can I buy 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid?
You can request a quote for 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.