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[2-(4-Hydroxyoxan-4-yl)-2-phenylethyl]azanium (HCID 58415930)｜Huagongshe

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Compound

[2-(4-Hydroxyoxan-4-yl)-2-phenylethyl]azanium

HCID 58415930

Notes Reactions

Basic information Names & identifiers Properties Related reactions Compound notes

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Basic information

Standard SMILES: [NH3+]CC(c1ccccc1)C1(O)CCOCC1
InChIKey: WYFSRSCSWLQMEL-UHFFFAOYSA-O
Molecular formula: C13H20NO2+
Average molar mass: 222.3 g/mol
Monoisotopic mass: 222.14940388

Names & identifiers

Preferred name: [2-(4-Hydroxyoxan-4-yl)-2-phenylethyl]azanium
IUPAC: [2-(4-hydroxyoxan-4-yl)-2-phenylethyl]azanium

Database identifiers

PubChem CID: 58415930

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 57.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 1
Complexity: 208

Related reactions

1 records

New reaction record

HRID 2131023 reaction equation

HRID 2131023As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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