Quinoline, 1,2-dihydro-6-ethoxy-2,2,4-trimethyl-, sulfate (1:1)
Basic information
- CAS
3763-77-7- Standard SMILES
CCOc1ccc2c(c1)C(C)=CC(C)(C)N2.O=S(=O)(O)O- InChIKey
WIHVPBNXCMSLHE-UHFFFAOYSA-N- Molecular formula
- C14H21NO5S
- Average molar mass
- 315.39 g/mol
- Monoisotopic mass
- 315.11404394
Names & identifiers
- Preferred name
- Quinoline, 1,2-dihydro-6-ethoxy-2,2,4-trimethyl-, sulfate (1:1)
- IUPAC
- 6-ethoxy-2,2,4-trimethyl-1H-quinoline;sulfuric acid
Names & synonyms
Santoquin sulfateQuinol EDK Sulfate3763-77-7Quinoline, 1,2-dihydro-6-ethoxy-2,2,4-trimethyl-, sulfate (1:1)DTXSID80191066RefChem:378488DTXCID901135576-ETHOXY-2,2,4-TRIMETHYL-1,2-DIHYDROQUINOLINE SULFATESCHEMBL27362926Sulfuric acid--6-ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline (1/1)
Database identifiers
- CAS
3763-77-7- PubChem CID
- 199144
- DTXSID
DTXSID80191066
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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