| CAS Number | 352275-00-4 |
| Catalog Number | AG019L9X(AGN-PC-0RANT8) |
| Chemical Name | [(tert-butoxy)carbonyl]({[4-(dimethyliminiumyl)-1,4-dihydropyridin-1-yl]sulfonyl})azanide |
| IUPAC Name | (1E)-N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate |
| InChI | InChI=1S/C12H19N3O4S/c1-12(2,3)19-11(16)13-20(17,18)15-8-6-10(7-9-15)14(4)5/h6-9H,1-5H3 |
| InChI Key | KEQQONPVAQQBHG-UHFFFAOYSA-N |
| MDL Number | MFCD24387682 |
| Molecular Formula | C12H19N3O4S |
| Molecular Weight | 301.3620 |
| SMILES | O=S([N+]1=CC=C(N(C)C)C=C1)([N-]C(OC(C)(C)C)=O)=O |
| Synonyms | (tert-butoxycarbonyl)((4-(dimethyliminio)pyridin-1(4H)-yl)sulfonyl)amide,
[(tert-butoxy)carbonyl]({[4-(dimethyliminiumyl)-1,4-dihydropyridin-1-yl]sulfonyl})azanide,
352275-00-4,
SCHEMBL599548,
AKOS026715498,
AKOS030524767,
NE61357,
F2147-1303,
N-(t-butoxycarbonyl)-N-[4-(dimethylazaniumylidene)-1,4-dihydropyridin-1-ylsulfonyl]azanide,
CID11426593,
N-(4-dimethylaminopyridin-1-yl)sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate,
4-(Dimethylamino)-1-[[[(1,1-dimethylethoxy)carbonyl]amino]sulfonyl]-pyridinium,inner salt, 95+%,
N/A,
|
| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 301.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.361g/mol |
| Monoisotopic Mass | 301.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 94.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number