| CAS Number | 199181-39-0 |
| Catalog Number | AG01AMOS |
| Chemical Name | 1H-imidazol-1-amine; 2,4,6-trimethylbenzene-1-sulfonic acid |
| IUPAC Name | imidazol-1-amine;2,4,6-trimethylbenzenesulfonic acid |
| InChI | InChI=1S/C9H12O3S.C3H5N3/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;4-6-2-1-5-3-6/h4-5H,1-3H3,(H,10,11,12);1-3H,4H2 |
| InChI Key | BJXQUZUPFYJFPP-UHFFFAOYSA-N |
| MDL Number | MFCD29033966 |
| Molecular Formula | C12H17N3O3S |
| Molecular Weight | 283.3467 |
| SMILES | CC1=CC(C)=C(S(O)(=O)=O)C(C)=C1.NN1C=NC=C1 |
| Synonyms | 199181-39-0,
1H-imidazol-1-amine, 2,4,6-trimethylbenzene-1-sulfonic acid,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.346g/mol |
| Monoisotopic Mass | 283.099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number