4-Dodecyl-4-methylmorpholinium methyl sulphate
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Basic information
- CAS
58226-73-6- Standard SMILES
CCCCCCCCCCCC[N+]1(C)CCOCC1.COS(=O)(=O)[O-]- InChIKey
ZODQGBRGPZSUOJ-UHFFFAOYSA-M- Molecular formula
- C18H39NO5S
- Average molar mass
- 381.6 g/mol
- Monoisotopic mass
- 381.25489452
Names & identifiers
- Preferred name
- 4-Dodecyl-4-methylmorpholinium methyl sulphate
- IUPAC
- 4-dodecyl-4-methylmorpholin-4-ium;methyl sulfate
- English name
- 4-dodecyl-4-methylmorpholinium methyl sulphate
- Molecular formula
- C18H39NO5S
- Molecular weight
- 381.57096
Names & synonyms
4-Dodecyl-4-methylmorpholinium methyl sulphate58226-73-6EXX5U96KAGEINECS 261-172-2NSC 215223NSC-215223DTXSID60206960MORPHOLINIUM, 4-DODECYL-4-METHYL-, METHYL SULFATEMORPHOLINIUM, 4-DODECYL-4-METHYL-, METHYL SULFATE (1:1)RefChem:98785DTXCID90129451261-172-2
Show more names
UNII-EXX5U96KAGSCHEMBL11345454ZODQGBRGPZSUOJ-UHFFFAOYSA-MNSC215223DB-229090NS000534824-Dodecyl-4-methylmorpholin-4-ium methyl sulfate
Database identifiers
- CAS
58226-73-6- PubChem CID
- 3085137
- DTXSID
DTXSID60206960- UNII
- EXX5U96KAG
- EC Number
- 261-172-2
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- FDA UNII
- 5 U96KAG · EXX5U96KAG
Related reactions
0 records
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Compound notes
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