920519-32-0 Purity
96%
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Specification
The molecular formula of 2-Benzyl-2,7-diaza-spiro[4.4]nonane dihydrochloride is C14H22Cl2N2.
The molecular weight of 2-Benzyl-2,7-diaza-spiro[4.4]nonane dihydrochloride is 289.2 g/mol.
The IUPAC name of 2-Benzyl-2,7-diaza-spiro[4.4]nonane dihydrochloride is 2-benzyl-2,7-diazaspiro[4.4]nonane;dihydrochloride.
The InChI of 2-Benzyl-2,7-diaza-spiro[4.4]nonane dihydrochloride is InChI=1S/C14H20N2.2ClH/c1-2-4-13(5-3-1)10-16-9-7-14(12-16)6-8-15-11-14;;/h1-5,15H,6-12H2;2*1H.
The InChIKey of 2-Benzyl-2,7-diaza-spiro[4.4]nonane dihydrochloride is HMCPNAXNVHQMBL-UHFFFAOYSA-N.
The canonical SMILES of 2-Benzyl-2,7-diaza-spiro[4.4]nonane dihydrochloride is C1CNCC12CCN(C2)CC3=CC=CC=C3.Cl.Cl.
The hydrogen bond donor count of 2-Benzyl-2,7-diaza-spiro[4.4]nonane dihydrochloride is 3.
The hydrogen bond acceptor count of 2-Benzyl-2,7-diaza-spiro[4.4]nonane dihydrochloride is 2.
There are 2 rotatable bonds in 2-Benzyl-2,7-diaza-spiro[4.4]nonane dihydrochloride.
Yes, 2-Benzyl-2,7-diaza-spiro[4.4]nonane dihydrochloride is the canonicalized form.