Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride

HCID 23909

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Basic information

CAS: 7428-73-1
Standard SMILES: C[NH+](C)CCCC(=O)c1ccccc1CCc1ccccc1.[Cl-]
InChIKey: FRQDXKKFIXSNHH-UHFFFAOYSA-N
Molecular formula: C20H26ClNO
Average molar mass: 331.9 g/mol
Monoisotopic mass: 331.1702921

Names & identifiers

Preferred name: Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride
IUPAC: dimethyl-[4-oxo-4-[2-(2-phenylethyl)phenyl]butyl]azanium chloride

Names & synonyms

4-(Dimethylamino)-2'-phenethylbutyrophenone hydrochloride7428-73-12-(2-Phenylethyl)phenyl 3'-dimethylaminopropyl ketone hydrochlorideBUTYROPHENONE, 4-(DIMETHYLAMINO)-2'-PHENETHYL-, HYDROCHLORIDE2-(2-Phenylaethyl)phenyl-3'-dimethylaminopropylketone hydrochlorid [German]2-(2-Phenylaethyl)phenyl-3'-dimethylaminopropylketone hydrochloridRefChem:331476

Database identifiers

CAS: 7428-73-1
PubChem CID: 23909

Properties

Computed structural properties

Topological polar surface area: 21.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 320

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