2-[6-[1,3-bis(azanyl)-2-methyl-propan-2-yl]pyridin-2-yl]-2-methyl-propane-1,3-diamine; iron(2+); tetraperchlorate; hydrate

Systemtic Name: 2-[6-[1,3-bis(azanyl)-2-methyl-propan-2-yl]pyridin-2-yl]-2-methyl-propane-1,3-diamine; iron(2+); tetraperchlorate; hydrate Openeye Name: diferrous 2-[6-[2-amino-1-(aminomethyl)-1-methyl-ethyl]-2-pyridyl]-2-methyl-propane-1,3-diamine tetraperchlorate hydrate CAS Name: 2-[6-(1,3-diamino-2-methylpropan-2-yl)-2-pyridinyl]-2-methylpropane-1,3-diamine; iron(2+); tetraperchlorate; hydrate IUPAC Name: 2-[6-(1,3-diamino-2-methylpropan-2-yl)pyridin-2-yl]-2-methylpropane-1,3-diamine; iron(2+); tetraperchlorate; hydrate Traditional Name: diferrous [3-amino-2-[6-[2-amino-1-(aminomethyl)-1-methyl-ethyl]-2-pyridyl]-2-methyl-propyl]amine tetraperchlorate hydrate Formula: C26H52Cl4Fe2N10O17 MolecularWeight: 1030.24988

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)(CN)C1=NC(=CC=C1)C(C)(CN)CN.CC(CN)(CN)C1=NC(=CC=C1)C(C)(CN)CN.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2].[Fe+2]

Isomeric SMILES

CC(CN)(CN)C1=NC(=CC=C1)C(C)(CN)CN.CC(CN)(CN)C1=NC(=CC=C1)C(C)(CN)CN.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2].[Fe+2]

InChI

InChI=1S/2C13H25N5.4ClHO4.2Fe.H2O/c2*1-12(6-14,7-15)10-4-3-5-11(18-10)13(2,8-16)9-17;4*2-1(3,4)5;;;/h2*3-5H,6-9,14-17H2,1-2H3;4*(H,2,3,4,5);;;1H2/q;;;;;;2*+2;/p-4