2(3H)-Benzofuranone, 3-(3-(diethylamino)propyl)-3-phenyl-, hydrochloride

HCID 45301

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Basic information

CAS: 63917-64-6
Standard SMILES: CC[NH+](CC)CCCC1(c2ccccc2)C(=O)Oc2ccccc21.[Cl-]
InChIKey: RRHGCGSSXPZSMF-UHFFFAOYSA-N
Molecular formula: C21H26ClNO2
Average molar mass: 359.9 g/mol
Monoisotopic mass: 359.1652068

Names & identifiers

Preferred name: 2(3H)-Benzofuranone, 3-(3-(diethylamino)propyl)-3-phenyl-, hydrochloride
IUPAC: diethyl-[3-(2-oxo-3-phenyl-1-benzofuran-3-yl)propyl]azanium chloride

Names & synonyms

3-(3-(Diethylamino)propyl)-3-phenyl-2(3H)-benzofuranone hydrochloride2(3H)-BENZOFURANONE, 3-(3-(DIETHYLAMINO)PROPYL)-3-PHENYL-, HYDROCHLORIDE63917-64-6RefChem:241473

Database identifiers

CAS: 63917-64-6
PubChem CID: 45301

Properties

Computed structural properties

Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 414

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