3163-27-7 Purity
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The molecular formula is C14H25BrClN.
The synonyms are 31897-92-4, ADAMANTANE, 2-BROMO-1-(2-METHYLAMINOPROPYL)-, HYDROCHLORIDE, 1-(2-bromo-1-adamantyl)-N-methylpropan-2-amine; hydrochloride, and 2-BROMO-1-(2-METHYLAMINOPROPYL)ADAMANTANE HYDROCHLORIDE.
The molecular weight is 322.71 g/mol.
The IUPAC name is 1-(2-bromo-1-adamantyl)-N-methylpropan-2-amine; hydrochloride.
The InChI is InChI=1S/C14H24BrN.ClH/c1-9(16-2)6-14-7-10-3-11(8-14)5-12(4-10)13(14)15;/h9-13,16H,3-8H2,1-2H3;1H.
The InChIKey is XHDRCKHCSHZSMF-UHFFFAOYSA-N.
The canonical SMILES is CC(CC12CC3CC(C1)CC(C3)C2Br)NC.Cl.
The CAS number is 31897-92-4.
The hydrogen bond donor count is 2.
Yes, it is the canonicalized compound.