| CAS Number | 39996-41-3 |
| Catalog Number | AG01B6L1(AGN-PC-0RLE0E) |
| Chemical Name | 1-Aminopyridinium 2,4,6-trimethylbenzenesulfonate |
| IUPAC Name | pyridin-1-ium-1-amine;2,4,6-trimethylbenzenesulfonate |
| InChI | InChI=1S/C9H12O3S.C5H7N2/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;6-7-4-2-1-3-5-7/h4-5H,1-3H3,(H,10,11,12);1-5H,6H2/q;+1/p-1 |
| InChI Key | UDVCZSURIVJFJO-UHFFFAOYSA-M |
| MDL Number | MFCD30342995 |
| Molecular Formula | C14H18N2O3S |
| Molecular Weight | 294.3693 |
| SMILES | O=S(=O)([O-])C=1C(=CC(=CC1C)C)C.N[N+]=1C=CC=CC1 |
| Synonyms | 1-aminopyridin-1-ium 2,4,6-trimethylbenzene-1-sulfonate,
39996-41-3,
SCHEMBL1694111,
UDVCZSURIVJFJO-UHFFFAOYSA-M,
N-aminopyridinium mesitylene sulfonate,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.369g/mol |
| Monoisotopic Mass | 294.104g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 95.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number