4-Methylbenzene-1-sulfonic acid--1-methylpyridin-2(1H)-imine (1/1)
Basic information
- CAS
32479-72-4- Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.Cn1ccccc1=N- InChIKey
GAZDPFZZKIQQOU-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3S
- Average molar mass
- 280.34 g/mol
- Monoisotopic mass
- 280.08816355
Names & identifiers
- Preferred name
- 4-Methylbenzene-1-sulfonic acid--1-methylpyridin-2(1H)-imine (1/1)
- IUPAC
- 4-methylbenzenesulfonic acid;1-methylpyridin-2-imine
- English name
- Pyridinium, 2-amino-1-methyl-, p-toluenesulfonate
- Molecular weight
- 0
Names & synonyms
32479-72-4DTXSID309542244-Methylbenzene-1-sulfonic acid--1-methylpyridin-2(1H)-imine (1/1)RefChem:1071145DTXCID9013822502-Amino-1-methylpyridinium p-toluenesulfonatePyridinium, 2-amino-1-methyl-, p-toluenesulfonate
Database identifiers
- CAS
32479-72-4- PubChem CID
- 208577
- DTXSID
DTXSID30954224
Properties
Computed structural properties
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- EWG's Food Scores
- 1 · 1
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Related reactions
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Compound notes
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