Acetophenone, 2'-((3-diisopropylamino-2-hydroxy)propoxy)-, hydrochloride

HCID 46178

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Basic information

CAS: 63990-69-2
Standard SMILES: CC(=O)c1ccccc1OCC(O)C[NH+](C(C)C)C(C)C.[Cl-]
InChIKey: XFJUBSCJIVHSLU-UHFFFAOYSA-N
Molecular formula: C17H28ClNO3
Average molar mass: 329.9 g/mol
Monoisotopic mass: 329.1757714

Names & identifiers

Preferred name: Acetophenone, 2'-((3-diisopropylamino-2-hydroxy)propoxy)-, hydrochloride
IUPAC: [3-(2-acetylphenoxy)-2-hydroxypropyl]-di(propan-2-yl)azanium chloride

Names & synonyms

2'-((3-Diisopropylamino-2-hydroxy)propoxy)acetophenone hydrochloride63990-69-2ACETOPHENONE, 2'-((3-DIISOPROPYLAMINO-2-HYDROXY)PROPOXY)-, HYDROCHLORIDERefChem:316875

Database identifiers

CAS: 63990-69-2
PubChem CID: 46178

Properties

Computed structural properties

Topological polar surface area: 51 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 309

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