| CAS Number | 39996-54-8 |
| Catalog Number | AG01EIDX |
| Chemical Name | 1-aminopyridazin-1-ium 2,4,6-trimethylbenzene-1-sulfonate |
| IUPAC Name | pyridazin-1-ium-1-amine;2,4,6-trimethylbenzenesulfonate |
| InChI | InChI=1S/C9H12O3S.C4H6N3/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;5-7-4-2-1-3-6-7/h4-5H,1-3H3,(H,10,11,12);1-4H,(H2,5,6)/q;+1/p-1 |
| InChI Key | QMJRRGHNNTWMRD-UHFFFAOYSA-M |
| MDL Number | MFCD31665742 |
| Molecular Formula | C13H17N3O3S |
| Molecular Weight | 295.3574 |
| SMILES | CC1=CC(C)=C(S([O-])(=O)=O)C(C)=C1.N[N+]1=NC=CC=C1 |
| Synonyms | 1-aminopyridazin-1-ium 2,4,6-trimethylbenzene-1-sulfonate,
39996-54-8,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.357g/mol |
| Monoisotopic Mass | 295.099g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Lot Number