4,5-Dihydro-1-methyl-1-(2-((1-oxododecyl)amino)ethyl)-2-undecyl-1H-imidazolium methyl sulphate
Basic information
- CAS
94022-74-9- Standard SMILES
CCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCC.COS(=O)(=O)[O-]- InChIKey
GKFRSXOYLDHCGT-UHFFFAOYSA-N- Molecular formula
- C30H61N3O5S
- Average molar mass
- 575.9 g/mol
- Monoisotopic mass
- 575.43319323
Names & identifiers
- Preferred name
- 4,5-Dihydro-1-methyl-1-(2-((1-oxododecyl)amino)ethyl)-2-undecyl-1H-imidazolium methyl sulphate
- IUPAC
- methyl sulfate;N-[2-(1-methyl-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]dodecanamide
Names & synonyms
94022-74-94,5-Dihydro-1-methyl-1-(2-((1-oxododecyl)amino)ethyl)-2-undecyl-1H-imidazolium methyl sulphateEINECS 301-572-75JN2XZ33CRSCHEMBL11362883NS000639912-UNDECYL-1-METHYL-1-(2-LAURAMIDOETHYL)IMIDAZOLINIUM METHYLSULFATE1H-Imidazolium, 4,5-dihydro-1-methyl-1-[2-[(1-oxododecyl)amino]ethyl]-2-undecyl-, methyl sulfate1H-Imidazolium, 4,5-dihydro-1-methyl-1-[2-[(1-oxododecyl)amino]ethyl]-2-undecyl-, methyl sulfate (1:1)
Database identifiers
- CAS
94022-74-9- PubChem CID
- 44148149
- UNII
- 5JN2XZ33CR
- EC Number
- 301-572-7
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 23
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 596
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