Basic information
- CAS
1696-81-7- Standard SMILES
CCCCCCCCCCCCOS(=O)(=O)Oc1ccc(C)c2cccnc12- InChIKey
NJSZNNCKAINTGE-UHFFFAOYSA-N- Molecular formula
- C22H33NO4S
- Average molar mass
- 407.6 g/mol
- Monoisotopic mass
- 407.21302971
Names & identifiers
- Preferred name
- Dodecyl 5-methyl-8-quinolyl sulphate
- IUPAC
- dodecyl (5-methylquinolin-8-yl) sulfate
- English name
- dodecyl 5-methyl-8-quinolyl sulphate
- Molecular formula
- C22H33NO4S
- Molecular weight
- 407.57
Names & synonyms
Dodecyl 5-methyl-8-quinolyl sulphate1696-81-7dodecyl 5-methylquinolin-8-yl sulfatedodecyl (5-methylquinolin-8-yl) sulfateEINECS 216-916-0DTXSID50937650NJSZNNCKAINTGE-UHFFFAOYSA-NNS00046875DODECYL 5-METHYL-8-QUINOLYL SULFATESulfuric acid dodecyl(5-methyl-8-quinolinyl) ester
Database identifiers
- CAS
1696-81-7- PubChem CID
- 74332
- DTXSID
DTXSID50937650- EC Number
- 216-916-0
- Nikkaji
- J195.346J
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 505
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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