CAS
900782-06-1 Purity
96%
900782-06-1 Purity
96%
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The molecular formula is C23H40BrNO2.
The molecular weight is 442.5 g/mol.
The IUPAC name is 2-tetradecyl-3,4-dihydro-1H-isoquinoline-6,7-diol;hydrobromide.
The InChIKey is IERHRKDMNVQASS-UHFFFAOYSA-N.
There are 3 hydrogen bond donors.
There are 3 hydrogen bond acceptors.
The exact mass is 441.22424 g/mol.
There are 13 rotatable bonds.
The topological polar surface area is 43.7 Å2.
Yes, the compound is canonicalized.