CAS
901585-69-1 Purity
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901585-69-1 Purity
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The molecular formula is C13H28N2.
The molecular weight is 212.37 g/mol.
The IUPAC name is N-[(1-butylpiperidin-2-yl)methyl]propan-1-amine.
The InChI is InChI=1S/C13H28N2/c1-3-5-10-15-11-7-6-8-13(15)12-14-9-4-2/h13-14H,3-12H2,1-2H3.
The InChIKey is XUKQUHJJQLWKKP-UHFFFAOYSA-N.
The canonical SMILES is CCCCN1CCCCC1CNCCC.
There is 1 hydrogen bond donor count.
There are 2 hydrogen bond acceptor counts.
The exact mass is 212.225248902 g/mol.
Yes, the compound is canonicalized.