[3-(3-acetyloxy-2-benzylbutanoyl)oxy-2,2-dimethylpropyl]-diethylazanium chloride

CAS: 66859-65-2

Molecular Formula	`C22H36ClNO4`
Molecular Weight	414.0 g/mol
Topological Polar Surface Area	57.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	13
Exact Mass	413.23328
Heavy Atoms	28
Complexity	453.0

Chemical Identifiers

CAS Number	66859-65-2
SMILES	`CC[NH+](CC)CC(C)(C)COC(=O)C(CC1=CC=CC=C1)C(C)OC(=O)C.[Cl-]`
InChIKey	`ZALZGCIYXVWCAM-UHFFFAOYSA-N`

📖 Product Overview

[3-(3-acetyloxy-2-benzylbutanoyl)oxy-2,2-dimethylpropyl]-diethylazanium chloride (CAS: 66859-65-2) is a chemical compound with molecular formula C22H36ClNO4 and molecular weight 414.0 g/mol. Its IUPAC systematic name is [3-(3-acetyloxy-2-benzylbutanoyl)oxy-2,2-dimethylpropyl]-diethylazanium chloride. Topological Polar Surface Area 57.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 13 Exact Mass 413.23328 Heavy Atoms 28 Complexity 453.0 InChI Key: ZALZGCIYXVWCAM-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CC(C)(C)COC(=O)C(CC1=CC=CC=C1)C(C)OC(=O)C.[Cl-].

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