Ammonium, dibutyl(3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)methyl-, iodide

HCID 25259

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Basic information

CAS: 10429-15-9
Standard SMILES: CCCC[N+](C)(CCCC)CCCOc1ccccc1C(O)c1ccccc1.[I-]
InChIKey: GIABAYFDQVEYAI-UHFFFAOYSA-M
Molecular formula: C25H38INO2
Average molar mass: 511.5 g/mol
Monoisotopic mass: 511.19473

Names & identifiers

Preferred name: Ammonium, dibutyl(3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)methyl-, iodide
IUPAC: dibutyl-[3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl]-methylazanium iodide

Names & synonyms

Dibutyl(3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)methylammonium iodide2-(3-(Dibutylamino)propoxy)benzhydrol methiodideBenzhydrol, 2-(3-(dibutylamino)propoxy)-, methiodide10429-15-9AMMONIUM, DIBUTYL(3-(2-(alpha-HYDROXYBENZYL)PHENOXY)PROPYL)METHYL-, IODIDERefChem:319201DTXSID70908887N-Butyl-N-(3-{2-[hydroxy(phenyl)methyl]phenoxy}propyl)-N-methylbutan-1-aminium iodide

Database identifiers

CAS: 10429-15-9
PubChem CID: 25259
DTXSID: DTXSID70908887

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 13
Heavy atoms: 29
Formal charge: 0
Complexity: 386

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