| CAS Number | 13441-53-7 |
| Catalog Number | AG01DVVU(AGN-PC-0NG6NU) |
| Chemical Name | 4-Formyl-1-Methylpyridin-1-Ium Iodide |
| IUPAC Name | 1-methylpyridin-1-ium-4-carbaldehyde;iodide |
| InChI | InChI=1S/C7H8NO.HI/c1-8-4-2-7(6-9)3-5-8;/h2-6H,1H3;1H/q+1;/p-1 |
| InChI Key | ZXBSOTYVIHPBDT-UHFFFAOYSA-M |
| MDL Number | MFCD00955994 |
| Molecular Formula | C7H8INO |
| Molecular Weight | 249.0490 |
| NSC Number | 204945 |
| SMILES | [I-].C(=O)C1=CC=[N+](C=C1)C |
| Synonyms | 4-Formyl-1-methylpyridin-1-ium iodide,
13441-53-7,
SCHEMBL7049251,
DTXSID50455884,
4-formyl-1-methyl-pyridinium iodide,
NSC204945,
NSC-204945,
Pyridinium, 4-formyl-1-methyl-, iodide,
Pyridinium,4-formyl-1-methyl-,iodide,
1-methylpyridine-4-carbaldehyde Iodide,
CID11118439,
|
| Complexity | 95.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.051g/mol |
| Monoisotopic Mass | 248.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 21A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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Signal Words
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warning
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UN Code
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\N
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Certificate of Analysis
Lot Number