CAS
94135-80-5 Purity
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94135-80-5 Purity
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The molecular formula is C9H19Br2N.
The molecular weight is 301.06 g/mol.
The IUPAC name is 1-(3-bromopropyl)-2,5-dimethylpyrrolidin-1-ium;bromide.
The InChIKey is VBJPHSXINZTGAA-UHFFFAOYSA-N.
The canonical SMILES representation is CC1CCC([NH+]1CCCBr)C.[Br-].
The CAS number is 94135-90-7.
There is 1 hydrogen bond donor count.
The exact mass is 300.98638 g/mol.
There are 3 rotatable bond counts.
Yes, the compound is canonicalized.