Butyric acid, 3-acetoxy-2-benzyl-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride

HCID 48209

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Basic information

CAS: 66859-65-2
Standard SMILES: CC[NH+](CC)CC(C)(C)COC(=O)C(Cc1ccccc1)C(C)OC(C)=O.[Cl-]
InChIKey: ZALZGCIYXVWCAM-UHFFFAOYSA-N
Molecular formula: C22H36ClNO4
Average molar mass: 414 g/mol
Monoisotopic mass: 413.2332863

Names & identifiers

Preferred name: Butyric acid, 3-acetoxy-2-benzyl-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride
IUPAC: [3-(3-acetyloxy-2-benzylbutanoyl)oxy-2,2-dimethylpropyl]-diethylazanium chloride

Names & synonyms

66859-65-2Butyric acid, 3-acetoxy-2-benzyl-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochlorideRefChem:1080477alpha-Benzyl-beta-acetoxybuttersaeureester des 3-diaethylamino-2,2-dimethyl-1-propanol

Database identifiers

CAS: 66859-65-2
PubChem CID: 48209

Properties

Computed structural properties

Topological polar surface area: 57 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 13
Heavy atoms: 28
Formal charge: 0
Complexity: 453

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