CAS
94086-89-2 Purity
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94086-89-2 Purity
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The molecular formula is C23H46BrNO2.
It was created on December 5, 2007, and modified on December 30, 2023.
The IUPAC name is diethyl-(2-prop-2-enoyloxyethyl)-tetradecylazanium; bromide.
The Canonical SMILES representation is CCCCCCCCCCCCCC[N+](CC)(CC)CCOC(=O)C=C.[Br-].
The molecular weight is 448.5 g/mol.
It has 3 hydrogen bond acceptor counts.
The exact mass is 447.27119 g/mol.
The topological polar surface area is 26.3 Å2.
There are 27 heavy atoms.
Yes, it is a canonicalized compound.