1-(2-Aminoethyl)-4,5-dihydro-3-methyl-2-undecyl-1H-imidazolium methyl sulphate

HCID 44153247

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Basic information

CAS: 93783-37-0
Standard SMILES: CCCCCCCCCCCC1=[N+](C)CCN1CCN.COS(=O)(=O)[O-]
InChIKey: GRAPFUCCLAOCHJ-UHFFFAOYSA-M
Molecular formula: C18H39N3O4S
Average molar mass: 393.6 g/mol
Monoisotopic mass: 393.26612791

Names & identifiers

Preferred name: 1-(2-Aminoethyl)-4,5-dihydro-3-methyl-2-undecyl-1H-imidazolium methyl sulphate
IUPAC: methyl sulfate;2-(3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine
English name: 1-(2-aminoethyl)-4,5-dihydro-3-methyl-2-undecyl-1H-imidazolium methyl sulphate
Molecular formula: C18H39N3O4S
Molecular weight: 393.58496

Names & synonyms

93783-37-0EINECS 298-236-41-(2-Aminoethyl)-4,5-dihydro-3-methyl-2-undecyl-1H-imidazolium methyl sulphateDTXSID90917971GRAPFUCCLAOCHJ-UHFFFAOYSA-M1-(2-Aminoethyl)-3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium methyl sulfate

Database identifiers

CAS: 93783-37-0
PubChem CID: 44153247
DTXSID: DTXSID90917971
EC Number: 298-236-4

Properties

Computed structural properties

Topological polar surface area: 107 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 12
Heavy atoms: 26
Formal charge: 0
Complexity: 364

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