| CAS Number | 118931-23-0 |
| Catalog Number | AG007R93(AGN-PC-0JCR0V) |
| Chemical Name | 4-(4-Aminophenyl)-1-methylpyridin-1-ium iodide |
| IUPAC Name | 4-(1-methylpyridin-1-ium-4-yl)aniline;iodide |
| InChI | InChI=1S/C12H12N2.HI/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10;/h2-9,13H,1H3;1H |
| InChI Key | AXVRCVQYSOFTSF-UHFFFAOYSA-N |
| MDL Number | MFCD26523349 |
| Molecular Formula | C12H13IN2 |
| Molecular Weight | 312.1495 |
| SMILES | C[n+]1ccc(cc1)c1ccc(cc1)N.[I-] |
| Synonyms | 4-(4-AMINOPHENYL)-1-METHYLPYRIDIN-1-IUM IODIDE,
118931-23-0,
Pyridinium, 4-(4-aminophenyl)-1-methyl-, iodide,
ACMC-20mo2s,
CTK0C4328,
DTXSID80766975,
C12H13N2.I,
KM5779,
Y2628,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.154g/mol |
| Monoisotopic Mass | 312.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number