Basic information
- CAS
68516-69-8- Standard SMILES
CCOc1ccc2c(ccc(C)[n+]2C)c1.COS(=O)(=O)[O-]- InChIKey
JIDLSBRLRJKSPQ-UHFFFAOYSA-M- Molecular formula
- C14H19NO5S
- Average molar mass
- 313.37 g/mol
- Monoisotopic mass
- 313.09839388
Names & identifiers
- Preferred name
- Quinolinium, 6-ethoxy-1,2-dimethyl-, methyl sulfate (1:1)
- IUPAC
- 6-ethoxy-1,2-dimethylquinolin-1-ium;methyl sulfate
Names & synonyms
1,2-Dimethyl-6-ethoxyquinolinium methyl sulfate68516-69-8Quinolinium, 6-ethoxy-1,2-dimethyl-, methyl sulfateQuinolinium, 6-ethoxy-1,2-dimethyl-, methyl sulfate (1:1)DTXSID90887443N-Methyl-2-methyl-6-ethoxyquinolinium, methyl sulfateRefChem:178313DTXCID301026737JIDLSBRLRJKSPQ-UHFFFAOYSA-M6-Ethoxy-1,2-dimethylquinolin-1-ium methyl sulfate
Database identifiers
- CAS
68516-69-8- PubChem CID
- 110428
- DTXSID
DTXSID90887443
Properties
Computed structural properties
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 297
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationQuinolinium, 6-ethoxy-1,2-dimethyl-, methyl sulfate (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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