928000-34-4 Purity
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Specification
The molecular formula of the compound is C14H22N2.
The molecular weight of the compound is 218.34 g/mol.
The IUPAC name of the compound is (3R)-1-benzyl-3-propylpiperazine.
The InChI of the compound is InChI=1S/C14H22N2/c1-2-6-14-12-16(10-9-15-14)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3/t14-/m1/s1.
The InChIKey of the compound is BAMYGGQXKJSJMT-CQSZACIVSA-N.
The canonical SMILES of the compound is CCCC1CN(CCN1)CC2=CC=CC=C2.
The isomeric SMILES of the compound is CCC[C@@H]1CN(CCN1)CC2=CC=CC=C2.
The CAS number of the compound is 928025-41-6.
The XLogP3-AA value of the compound is 2.4.
Yes, the compound is canonicalized.