CAS
942047-62-3 Purity
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942047-62-3 Purity
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The molecular formula is C11H15BrN2.
The molecular weight is 255.15 g/mol.
The IUPAC name is 5-bromo-N-cyclohexylpyridin-2-amine.
The InChI is InChI=1S/C11H15BrN2/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,13,14).
The InChIKey is KKGJOCDSOQJOJA-UHFFFAOYSA-N.
The canonical SMILES representation is C1CCC(CC1)NC2=NC=C(C=C2)Br.
The CAS number is 942050-72-8.
It has 1 hydrogen bond donor count.
The topological polar surface area is 24.9 Å^2.
Yes, the compound is canonicalized.